Text Search
Structure Search

tert-butyl 3-(4-cyanobenzenesulfonyl)pyrrolidine-1-carboxylate

tert-butyl 3-(4-cyanobenzenesulfonyl)pyrrolidine-1-carboxylate

CAS: 887587-78-2

Formula: C16H20N2O4S

SMILES: CC(C)(C)OC(=O)N1CCC(C1)S(=O)(=O)C1=CC=C(C=C1)C#N

IUPAC: tert-butyl 3-(4-cyanobenzenesulfonyl)pyrrolidine-1-carboxylate

InChI: InChI=1/C16H20N2O4S/c1-16(2,3)22-15(19)18-9-8-14(11-18)23(20,21)13-6-4-12(10-17)5-7-13/h4-7,14H,8-9,11H2,1-3H3

Composition: C (57.13%), H (5.99%), N (8.33%), O (19.02%), S (9.53%)

Molar Mass: 336.41

Atom Count: 43

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 336.114378306
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey QDQDIFAJLHFBPN-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 85.7
Topological Polar Surface Area 87.47
Polarizability 34.09
Ring Count 2
Rotatable Bond Count 4

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Struchem co.,ltd
Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 887587-78-2 $2,640.00-$4,306.00$2,640.00$3,520.00$4,306.00
Request Quote