1-(thiophene-2-carbonyl)-1,4-diazepane

1-(thiophene-2-carbonyl)-1,4-diazepane

CAS: 683274-51-3

Formula: C10H14N2OS

SMILES: O=C(N1CCCNCC1)C1=CC=CS1

IUPAC: 1-(thiophene-2-carbonyl)-1,4-diazepane

InChI: InChI=1S/C10H14N2OS/c13-10(9-3-1-8-14-9)12-6-2-4-11-5-7-12/h1,3,8,11H,2,4-7H2

Composition: C (57.12%), H (6.71%), N (13.32%), O (7.61%), S (15.25%)

Molar Mass: 210.3

Atom Count: 28

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	210.082684253
Formal Charge	0
FSP3	0.5
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	WSYAIIHKVJXWDY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.44
Topological Polar Surface Area	32.34
Polarizability	21.85
Ring Count	2
Rotatable Bond Count	1

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