(2S)-N-methyl-N-(1-methylsulfanylpropan-2-yl)piperidine-2-carboxamide

C11H22N2OS — CID 104914638

IUPAC(2S)-N-methyl-N-(1-methylsulfanylpropan-2-yl)piperidine-2-carboxamide
SMILESCSCC(C)N(C)C(=O)[C@@H]1CCCCN1
InChIInChI=1S/C11H22N2OS/c1-9(8-15-3)13(2)11(14)10-6-4-5-7-12-10/h9-10,12H,4-8H2,1-3H3/t9?,10-/m0/s1
InChIKeyIXYTYYWTTJUCAX-AXDSSHIGSA-N
MW230.38 g/mol
LogP1.34
Rot. Bonds4

About (2S)-N-methyl-N-(1-methylsulfanylpropan-2-yl)piperidine-2-carboxamide

(2S)-N-methyl-N-(1-methylsulfanylpropan-2-yl)piperidine-2-carboxamide (PubChem CID 104914638) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is (2S)-N-methyl-N-(1-methylsulfanylpropan-2-yl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-methyl-N-(1-methylsulfanylpropan-2-yl)piperidine-2-carboxamide
PubChem CID104914638
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name(2S)-N-methyl-N-(1-methylsulfanylpropan-2-yl)piperidine-2-carboxamide
SMILESCSCC(C)N(C)C(=O)[C@@H]1CCCCN1
InChIInChI=1S/C11H22N2OS/c1-9(8-15-3)13(2)11(14)10-6-4-5-7-12-10/h9-10,12H,4-8H2,1-3H3/t9?,10-/m0/s1
InChIKeyIXYTYYWTTJUCAX-AXDSSHIGSA-N
XLogP1.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-2-carboxamide
CID 103833218
(2S)-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrrolidine-2-carboxamide
CID 103954955
N-methyl-N-(3-methylbutan-2-yl)azepane-2-carboxamide
CID 64562225
2-[methyl-[(2R)-piperidine-2-carbonyl]amino]butanoic acid
CID 104913782
(2R)-N-methyl-N-propylpiperidine-2-carboxamide
CID 93272806
(2S)-N-ethyl-N-(2-methylpropyl)piperidine-2-carboxamide
CID 93273990
(2R)-N-(1-methylsulfanylpropan-2-yl)piperidine-2-carboxamide
CID 103812007
N-methyl-N-(2-methylsulfanylethyl)pyrrolidine-2-carboxamide
CID 112698005
(2R)-N-(2,2-difluoroethyl)-N-methylpiperidine-2-carboxamide
CID 103809890
N-[2-(diethylamino)ethyl]-N-methylpiperidine-2-carboxamide
CID 119054103
N-methyl-N-(1-methylsulfanylpropan-2-yl)-2,3-dihydro-1H-indole-2-carboxamide
CID 112659434
N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]azepane-2-carboxamide
CID 64562456

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-N-(1-methylsulfanylpropan-2-yl)piperidine-2-carboxamide?
The IUPAC name of (2S)-N-methyl-N-(1-methylsulfanylpropan-2-yl)piperidine-2-carboxamide (CID 104914638) is (2S)-N-methyl-N-(1-methylsulfanylpropan-2-yl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-methyl-N-(1-methylsulfanylpropan-2-yl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-methyl-N-(1-methylsulfanylpropan-2-yl)piperidine-2-carboxamide is CSCC(C)N(C)C(=O)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-methyl-N-(1-methylsulfanylpropan-2-yl)piperidine-2-carboxamide?
The InChIKey is IXYTYYWTTJUCAX-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-9(8-15-3)13(2)11(14)10-6-4-5-7-12-10/h9-10,12H,4-8H2,1-3H3/t9?,10-/m0/s1.
What are the key properties of (2S)-N-methyl-N-(1-methylsulfanylpropan-2-yl)piperidine-2-carboxamide?
(2S)-N-methyl-N-(1-methylsulfanylpropan-2-yl)piperidine-2-carboxamide has a molecular weight of 230.38 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-N-(1-methylsulfanylpropan-2-yl)piperidine-2-carboxamide is sourced from PubChem (CID 104914638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).