6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid

6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid

CAS: 174909-66-1

Formula: C10H17NO3S

SMILES: CC1CCCC(N1C(=O)CCS)C(O)=O

IUPAC: 6-methyl-1-(3-sulfanylpropanoyl)piperidine-2-carboxylic acid

InChI: InChI=1/C10H17NO3S/c1-7-3-2-4-8(10(13)14)11(7)9(12)5-6-15/h7-8,15H,2-6H2,1H3,(H,13,14)

Composition: C (51.93%), H (7.41%), N (6.06%), O (20.75%), S (13.86%)

Molar Mass: 231.31

Atom Count: 32

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	231.092914585
Formal Charge	0
FSP3	0.8
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	UHIOKYGCFGNNCU-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.08
Topological Polar Surface Area	57.61
Polarizability	23.25
Ring Count	1
Rotatable Bond Count	3

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