3-(dimethylamino)-N-(2-ethylsulfinylcyclohexyl)piperidine-1-carboxamide

C16H31N3O2S — CID 71923151

IUPAC3-(dimethylamino)-N-(2-ethylsulfinylcyclohexyl)piperidine-1-carboxamide
SMILESCCS(=O)C1CCCCC1NC(=O)N1CCCC(N(C)C)C1
InChIInChI=1S/C16H31N3O2S/c1-4-22(21)15-10-6-5-9-14(15)17-16(20)19-11-7-8-13(12-19)18(2)3/h13-15H,4-12H2,1-3H3,(H,17,20)
InChIKeySZYPRNVTJDRLPJ-UHFFFAOYSA-N
MW329.51 g/mol
LogP1.80
Rot. Bonds4

About 3-(dimethylamino)-N-(2-ethylsulfinylcyclohexyl)piperidine-1-carboxamide

3-(dimethylamino)-N-(2-ethylsulfinylcyclohexyl)piperidine-1-carboxamide (PubChem CID 71923151) has the molecular formula C16H31N3O2S and a molecular weight of 329.51 g/mol. Its IUPAC name is 3-(dimethylamino)-N-(2-ethylsulfinylcyclohexyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-(2-ethylsulfinylcyclohexyl)piperidine-1-carboxamide
PubChem CID71923151
Molecular FormulaC16H31N3O2S
Molecular Weight329.51 g/mol
Exact Mass329.21
IUPAC Name3-(dimethylamino)-N-(2-ethylsulfinylcyclohexyl)piperidine-1-carboxamide
SMILESCCS(=O)C1CCCCC1NC(=O)N1CCCC(N(C)C)C1
InChIInChI=1S/C16H31N3O2S/c1-4-22(21)15-10-6-5-9-14(15)17-16(20)19-11-7-8-13(12-19)18(2)3/h13-15H,4-12H2,1-3H3,(H,17,20)
InChIKeySZYPRNVTJDRLPJ-UHFFFAOYSA-N
XLogP1.80
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.51
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(dimethylamino)-N-(2-ethylsulfinylcyclohexyl)piperidine-1-carboxamide 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

(3R)-N-[(1R,2R)-2-[(S)-ethylsulfinyl]cyclohexyl]-3-methylpiperidine-1-carboxamide
CID 124840665
(3S)-N-[(1S,2R)-2-[(R)-ethylsulfinyl]cyclohexyl]-3-methylpiperidine-1-carboxamide
CID 96995662
N-(2-ethylsulfinylcyclohexyl)-3-hydroxypiperidine-1-carboxamide
CID 71923149
(3S)-3-[[ethyl(methyl)amino]methyl]-N-[(1R,2S)-2-[(S)-ethylsulfinyl]cyclohexyl]pyrrolidine-1-carboxamide
CID 96995680
N-cyclohexyl-3-(dimethylamino)piperidine-1-carboxamide
CID 115613906
N-(2-ethylsulfinylcyclohexyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 75377552
N-cyclopentyl-3-(dimethylamino)pyrrolidine-1-carboxamide
CID 115610399
N-(2-ethylsulfinylcyclohexyl)-2-hydroxycyclopentane-1-carboxamide
CID 110016149
ethyl 3-(dimethylamino)piperidine-1-carboxylate
CID 63862577
1-[3-(dimethylamino)piperidin-1-yl]-2-hydroxyethanone
CID 131155211
2-[[1-[(2-ethylsulfanylcyclohexyl)carbamoyl]azepan-4-yl]-methylamino]acetic acid
CID 122005464
3-(2-ethylsulfinylcyclohexyl)-1-(2-hydroxyethyl)-1-propylurea
CID 111934138

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-(2-ethylsulfinylcyclohexyl)piperidine-1-carboxamide?
The IUPAC name of 3-(dimethylamino)-N-(2-ethylsulfinylcyclohexyl)piperidine-1-carboxamide (CID 71923151) is 3-(dimethylamino)-N-(2-ethylsulfinylcyclohexyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(dimethylamino)-N-(2-ethylsulfinylcyclohexyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(dimethylamino)-N-(2-ethylsulfinylcyclohexyl)piperidine-1-carboxamide is CCS(=O)C1CCCCC1NC(=O)N1CCCC(N(C)C)C1.
What is the InChIKey of 3-(dimethylamino)-N-(2-ethylsulfinylcyclohexyl)piperidine-1-carboxamide?
The InChIKey is SZYPRNVTJDRLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2S/c1-4-22(21)15-10-6-5-9-14(15)17-16(20)19-11-7-8-13(12-19)18(2)3/h13-15H,4-12H2,1-3H3,(H,17,20).
What are the key properties of 3-(dimethylamino)-N-(2-ethylsulfinylcyclohexyl)piperidine-1-carboxamide?
3-(dimethylamino)-N-(2-ethylsulfinylcyclohexyl)piperidine-1-carboxamide has a molecular weight of 329.51 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-(2-ethylsulfinylcyclohexyl)piperidine-1-carboxamide is sourced from PubChem (CID 71923151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).