(2S,4S)-2-methyl-N-(2-methylsulfanylpropyl)piperidine-4-carboxamide;hydrochloride

C11H23ClN2OS — CID 120639864

IUPAC(2S,4S)-2-methyl-N-(2-methylsulfanylpropyl)piperidine-4-carboxamide;hydrochloride
SMILESCSC(C)CNC(=O)[C@H]1CCN[C@@H](C)C1.Cl
InChIInChI=1S/C11H22N2OS.ClH/c1-8-6-10(4-5-12-8)11(14)13-7-9(2)15-3;/h8-10,12H,4-7H2,1-3H3,(H,13,14);1H/t8-,9?,10-;/m0./s1
InChIKeyOWOSPCOYLZWYQC-AWNRZOSWSA-N
MW266.84 g/mol
LogP1.66
Rot. Bonds4

About (2S,4S)-2-methyl-N-(2-methylsulfanylpropyl)piperidine-4-carboxamide;hydrochloride

(2S,4S)-2-methyl-N-(2-methylsulfanylpropyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120639864) has the molecular formula C11H23ClN2OS and a molecular weight of 266.84 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-(2-methylsulfanylpropyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-(2-methylsulfanylpropyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120639864
Molecular FormulaC11H23ClN2OS
Molecular Weight266.84 g/mol
Exact Mass266.12
IUPAC Name(2S,4S)-2-methyl-N-(2-methylsulfanylpropyl)piperidine-4-carboxamide;hydrochloride
SMILESCSC(C)CNC(=O)[C@H]1CCN[C@@H](C)C1.Cl
InChIInChI=1S/C11H22N2OS.ClH/c1-8-6-10(4-5-12-8)11(14)13-7-9(2)15-3;/h8-10,12H,4-7H2,1-3H3,(H,13,14);1H/t8-,9?,10-;/m0./s1
InChIKeyOWOSPCOYLZWYQC-AWNRZOSWSA-N
XLogP1.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.84
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,4S)-2-methyl-N-(2-methylsulfanylpropyl)piperidine-4-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,4S)-N-[(2S)-2-hydroxypropyl]-2-methylpiperidine-4-carboxamide
CID 130877690
N-(2-methylsulfanylpropyl)piperidine-4-carboxamide
CID 83632756
4-methyl-N-(2-methylsulfanylpropyl)piperidine-2-carboxamide
CID 114424521
ethyl 2-methyl-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate
CID 120633653
2-methyl-N-(4-methylsulfanylbutan-2-yl)piperidine-4-carboxamide
CID 106740652
(2S,4S)-N-(2-ethylhexyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120615953
N-(2-hydroxyethyl)-2-methylpiperidine-4-carboxamide
CID 106738732
2-methyl-N-prop-2-ynylpiperidine-4-carboxamide
CID 106738666
2-methyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 106738718
(2S,4S)-2-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)piperidine-4-carboxamide;hydrochloride
CID 120632113
N-(2-methylsulfanylpropyl)pyrrolidine-2-carboxamide
CID 115976802
(2S,4S)-2-methyl-N-(1-methylsulfanylbutan-2-yl)piperidine-4-carboxamide;hydrochloride
CID 120641275

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-(2-methylsulfanylpropyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-2-methyl-N-(2-methylsulfanylpropyl)piperidine-4-carboxamide;hydrochloride (CID 120639864) is (2S,4S)-2-methyl-N-(2-methylsulfanylpropyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-2-methyl-N-(2-methylsulfanylpropyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-2-methyl-N-(2-methylsulfanylpropyl)piperidine-4-carboxamide;hydrochloride is CSC(C)CNC(=O)[C@H]1CCN[C@@H](C)C1.Cl.
What is the InChIKey of (2S,4S)-2-methyl-N-(2-methylsulfanylpropyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is OWOSPCOYLZWYQC-AWNRZOSWSA-N. The full InChI is InChI=1S/C11H22N2OS.ClH/c1-8-6-10(4-5-12-8)11(14)13-7-9(2)15-3;/h8-10,12H,4-7H2,1-3H3,(H,13,14);1H/t8-,9?,10-;/m0./s1.
What are the key properties of (2S,4S)-2-methyl-N-(2-methylsulfanylpropyl)piperidine-4-carboxamide;hydrochloride?
(2S,4S)-2-methyl-N-(2-methylsulfanylpropyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 266.84 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-(2-methylsulfanylpropyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120639864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).