tert-butyl 2-carbamothioylpiperidine-1-carboxylate

tert-butyl 2-carbamothioylpiperidine-1-carboxylate

CAS: 569348-09-0

Formula: C11H20N2O2S

SMILES: CC(C)(C)OC(=O)N1CCCCC1C(N)=S

IUPAC: tert-butyl 2-carbamothioylpiperidine-1-carboxylate

InChI: InChI=1/C11H20N2O2S/c1-11(2,3)15-10(14)13-7-5-4-6-8(13)9(12)16/h8H,4-7H2,1-3H3,(H2,12,16)

Composition: C (54.07%), H (8.25%), N (11.46%), O (13.09%), S (13.12%)

Molar Mass: 244.35

Atom Count: 36

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	244.124549066
Formal Charge	0
FSP3	0.82
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	OLZRMIGDZLTJLM-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.47
Topological Polar Surface Area	55.56
Polarizability	26.74
Ring Count	1
Rotatable Bond Count	3

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