(3S)-N-[(1S,2R)-2-[(R)-ethylsulfinyl]cyclohexyl]-3-methylpiperidine-1-carboxamide

C15H28N2O2S — CID 96995662

IUPAC(3S)-N-[(1S,2R)-2-[(R)-ethylsulfinyl]cyclohexyl]-3-methylpiperidine-1-carboxamide
SMILESCC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@H](C)C1
InChIInChI=1S/C15H28N2O2S/c1-3-20(19)14-9-5-4-8-13(14)16-15(18)17-10-6-7-12(2)11-17/h12-14H,3-11H2,1-2H3,(H,16,18)/t12-,13-,14+,20+/m0/s1
InChIKeyJRRMBMPDEXYTOI-LKWXMQFFSA-N
MW300.47 g/mol
LogP2.51
Rot. Bonds3

About (3S)-N-[(1S,2R)-2-[(R)-ethylsulfinyl]cyclohexyl]-3-methylpiperidine-1-carboxamide

(3S)-N-[(1S,2R)-2-[(R)-ethylsulfinyl]cyclohexyl]-3-methylpiperidine-1-carboxamide (PubChem CID 96995662) has the molecular formula C15H28N2O2S and a molecular weight of 300.47 g/mol. Its IUPAC name is (3S)-N-[(1S,2R)-2-[(R)-ethylsulfinyl]cyclohexyl]-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(1S,2R)-2-[(R)-ethylsulfinyl]cyclohexyl]-3-methylpiperidine-1-carboxamide
PubChem CID96995662
Molecular FormulaC15H28N2O2S
Molecular Weight300.47 g/mol
Exact Mass300.19
IUPAC Name(3S)-N-[(1S,2R)-2-[(R)-ethylsulfinyl]cyclohexyl]-3-methylpiperidine-1-carboxamide
SMILESCC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@H](C)C1
InChIInChI=1S/C15H28N2O2S/c1-3-20(19)14-9-5-4-8-13(14)16-15(18)17-10-6-7-12(2)11-17/h12-14H,3-11H2,1-2H3,(H,16,18)/t12-,13-,14+,20+/m0/s1
InChIKeyJRRMBMPDEXYTOI-LKWXMQFFSA-N
XLogP2.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-N-[(1S,2R)-2-[(R)-ethylsulfinyl]cyclohexyl]-3-methylpiperidine-1-carboxamide with MolForge

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Related Compounds

(3R)-N-[(1R,2R)-2-[(S)-ethylsulfinyl]cyclohexyl]-3-methylpiperidine-1-carboxamide
CID 124840665
N-(2-ethylsulfinylcyclohexyl)-3-hydroxypiperidine-1-carboxamide
CID 71923149
3-(dimethylamino)-N-(2-ethylsulfinylcyclohexyl)piperidine-1-carboxamide
CID 71923151
(3S)-3-[[ethyl(methyl)amino]methyl]-N-[(1R,2S)-2-[(S)-ethylsulfinyl]cyclohexyl]pyrrolidine-1-carboxamide
CID 96995680
N-[2-(hydroxymethyl)cyclopentyl]-3-methylpiperidine-1-carboxamide
CID 114178614
3-methyl-N-(2-methylpiperidin-3-yl)piperidine-1-carboxamide
CID 79159344
N-(2-ethylsulfinylcyclohexyl)-2-hydroxycyclopentane-1-carboxamide
CID 110016149
N-ethyl-3-methylpiperidine-1-carboxamide
CID 89048200
N-hexan-2-yl-3-methylpiperidine-1-carboxamide
CID 116655502
3-(hydroxymethyl)-N-(2-methylcyclohexyl)piperidine-1-carboxamide
CID 110882587
N-ethyl-2-ethylsulfinylcyclohexan-1-amine
CID 64651715
ethyl 4-[(2-ethylsulfinylcyclohexyl)amino]piperidine-1-carboxylate
CID 84593584

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(1S,2R)-2-[(R)-ethylsulfinyl]cyclohexyl]-3-methylpiperidine-1-carboxamide?
The IUPAC name of (3S)-N-[(1S,2R)-2-[(R)-ethylsulfinyl]cyclohexyl]-3-methylpiperidine-1-carboxamide (CID 96995662) is (3S)-N-[(1S,2R)-2-[(R)-ethylsulfinyl]cyclohexyl]-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[(1S,2R)-2-[(R)-ethylsulfinyl]cyclohexyl]-3-methylpiperidine-1-carboxamide?
The canonical SMILES for (3S)-N-[(1S,2R)-2-[(R)-ethylsulfinyl]cyclohexyl]-3-methylpiperidine-1-carboxamide is CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@H](C)C1.
What is the InChIKey of (3S)-N-[(1S,2R)-2-[(R)-ethylsulfinyl]cyclohexyl]-3-methylpiperidine-1-carboxamide?
The InChIKey is JRRMBMPDEXYTOI-LKWXMQFFSA-N. The full InChI is InChI=1S/C15H28N2O2S/c1-3-20(19)14-9-5-4-8-13(14)16-15(18)17-10-6-7-12(2)11-17/h12-14H,3-11H2,1-2H3,(H,16,18)/t12-,13-,14+,20+/m0/s1.
What are the key properties of (3S)-N-[(1S,2R)-2-[(R)-ethylsulfinyl]cyclohexyl]-3-methylpiperidine-1-carboxamide?
(3S)-N-[(1S,2R)-2-[(R)-ethylsulfinyl]cyclohexyl]-3-methylpiperidine-1-carboxamide has a molecular weight of 300.47 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(1S,2R)-2-[(R)-ethylsulfinyl]cyclohexyl]-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 96995662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).