(2S,4S)-2-methyl-N-(1-methylsulfanylbutan-2-yl)piperidine-4-carboxamide;hydrochloride

C12H25ClN2OS — CID 120641275

IUPAC(2S,4S)-2-methyl-N-(1-methylsulfanylbutan-2-yl)piperidine-4-carboxamide;hydrochloride
SMILESCCC(CSC)NC(=O)[C@H]1CCN[C@@H](C)C1.Cl
InChIInChI=1S/C12H24N2OS.ClH/c1-4-11(8-16-3)14-12(15)10-5-6-13-9(2)7-10;/h9-11,13H,4-8H2,1-3H3,(H,14,15);1H/t9-,10-,11?;/m0./s1
InChIKeyAHJDECZXXZOURW-DKPKQKKESA-N
MW280.86 g/mol
LogP2.05
Rot. Bonds5

About (2S,4S)-2-methyl-N-(1-methylsulfanylbutan-2-yl)piperidine-4-carboxamide;hydrochloride

(2S,4S)-2-methyl-N-(1-methylsulfanylbutan-2-yl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120641275) has the molecular formula C12H25ClN2OS and a molecular weight of 280.86 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-(1-methylsulfanylbutan-2-yl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-(1-methylsulfanylbutan-2-yl)piperidine-4-carboxamide;hydrochloride
PubChem CID120641275
Molecular FormulaC12H25ClN2OS
Molecular Weight280.86 g/mol
Exact Mass280.14
IUPAC Name(2S,4S)-2-methyl-N-(1-methylsulfanylbutan-2-yl)piperidine-4-carboxamide;hydrochloride
SMILESCCC(CSC)NC(=O)[C@H]1CCN[C@@H](C)C1.Cl
InChIInChI=1S/C12H24N2OS.ClH/c1-4-11(8-16-3)14-12(15)10-5-6-13-9(2)7-10;/h9-11,13H,4-8H2,1-3H3,(H,14,15);1H/t9-,10-,11?;/m0./s1
InChIKeyAHJDECZXXZOURW-DKPKQKKESA-N
XLogP2.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.86
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-N-hexan-3-yl-2-methylpiperidine-4-carboxamide
CID 120627601
2-methyl-N-(4-methylsulfanylbutan-2-yl)piperidine-4-carboxamide
CID 106740652
2-methyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 106738718
(2S,4S)-N-(1-methoxyhexan-2-yl)-2-methylpiperidine-4-carboxamide
CID 120634648
(2S,4S)-2-methyl-N-(2-methylsulfanylpropyl)piperidine-4-carboxamide;hydrochloride
CID 120639864
N-(1-cyclopropylethyl)-2-methylpiperidine-4-carboxamide
CID 106738786
3-hydroxy-2-[(2-methylpiperidine-4-carbonyl)amino]propanoic acid
CID 106739595
(2S,4S)-N-[(2S)-2-hydroxypropyl]-2-methylpiperidine-4-carboxamide
CID 130877690
N-(5-hydroxypentan-2-yl)-2-methylpiperidine-4-carboxamide
CID 106740348
N-(1-methylsulfanylbutan-2-yl)-6-oxopiperidine-3-carboxamide
CID 115900350
(2S,4S)-2-methyl-N-(1-phenylhexan-3-yl)piperidine-4-carboxamide
CID 120635934
(2S)-4-methyl-2-[(2-methylpiperidine-4-carbonyl)amino]pentanoic acid
CID 106739654

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-(1-methylsulfanylbutan-2-yl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-2-methyl-N-(1-methylsulfanylbutan-2-yl)piperidine-4-carboxamide;hydrochloride (CID 120641275) is (2S,4S)-2-methyl-N-(1-methylsulfanylbutan-2-yl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-2-methyl-N-(1-methylsulfanylbutan-2-yl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-2-methyl-N-(1-methylsulfanylbutan-2-yl)piperidine-4-carboxamide;hydrochloride is CCC(CSC)NC(=O)[C@H]1CCN[C@@H](C)C1.Cl.
What is the InChIKey of (2S,4S)-2-methyl-N-(1-methylsulfanylbutan-2-yl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is AHJDECZXXZOURW-DKPKQKKESA-N. The full InChI is InChI=1S/C12H24N2OS.ClH/c1-4-11(8-16-3)14-12(15)10-5-6-13-9(2)7-10;/h9-11,13H,4-8H2,1-3H3,(H,14,15);1H/t9-,10-,11?;/m0./s1.
What are the key properties of (2S,4S)-2-methyl-N-(1-methylsulfanylbutan-2-yl)piperidine-4-carboxamide;hydrochloride?
(2S,4S)-2-methyl-N-(1-methylsulfanylbutan-2-yl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 280.86 g/mol, XLogP of 2.05, 5 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-(1-methylsulfanylbutan-2-yl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120641275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).