N-(3-ethylsulfanylcyclohexyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide

C18H32N2O2S — CID 71979355

IUPACN-(3-ethylsulfanylcyclohexyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCCSC1CCCC(NC(=O)C2CCN(C(=O)C(C)C)CC2)C1
InChIInChI=1S/C18H32N2O2S/c1-4-23-16-7-5-6-15(12-16)19-17(21)14-8-10-20(11-9-14)18(22)13(2)3/h13-16H,4-12H2,1-3H3,(H,19,21)
InChIKeyGXGDPZXFGKPSTR-UHFFFAOYSA-N
MW340.53 g/mol
LogP3.06
Rot. Bonds5

About N-(3-ethylsulfanylcyclohexyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide

N-(3-ethylsulfanylcyclohexyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide (PubChem CID 71979355) has the molecular formula C18H32N2O2S and a molecular weight of 340.53 g/mol. Its IUPAC name is N-(3-ethylsulfanylcyclohexyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethylsulfanylcyclohexyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
PubChem CID71979355
Molecular FormulaC18H32N2O2S
Molecular Weight340.53 g/mol
Exact Mass340.22
IUPAC NameN-(3-ethylsulfanylcyclohexyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCCSC1CCCC(NC(=O)C2CCN(C(=O)C(C)C)CC2)C1
InChIInChI=1S/C18H32N2O2S/c1-4-23-16-7-5-6-15(12-16)19-17(21)14-8-10-20(11-9-14)18(22)13(2)3/h13-16H,4-12H2,1-3H3,(H,19,21)
InChIKeyGXGDPZXFGKPSTR-UHFFFAOYSA-N
XLogP3.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.53
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-ethylsulfanylcyclohexyl)-1-(2-methylpropanoyl)piperidine-4-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

2-[(3-ethylsulfanylcyclopentyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 103711399
N-[2-[[N-(3-ethylsulfanylcyclohexyl)-N'-methylcarbamimidoyl]amino]ethyl]-2-methylpropanamide
CID 111997755
2-amino-N-(3-ethylsulfanylcyclohexyl)acetamide;hydrochloride
CID 119343755
ethyl 4-[[(1R,3S)-3-ethylsulfanylcyclohexyl]amino]piperidine-1-carboxylate
CID 97056311
3-[(1-acetylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63044371
2-amino-N-(3-ethylsulfanylcyclopentyl)cyclopentane-1-carboxamide
CID 113267227
1-(3-ethylsulfanylcyclohexyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111751203
N-(2-hydroxypropyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 43418235
3-ethylsulfanyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 115876683
2-amino-N-(3-ethylsulfanylcyclopentyl)propanamide
CID 103797921
N-[1-(2-ethylbutanoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 60550291
N-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 55149500

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanylcyclohexyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-ethylsulfanylcyclohexyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide (CID 71979355) is N-(3-ethylsulfanylcyclohexyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-ethylsulfanylcyclohexyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-ethylsulfanylcyclohexyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide is CCSC1CCCC(NC(=O)C2CCN(C(=O)C(C)C)CC2)C1.
What is the InChIKey of N-(3-ethylsulfanylcyclohexyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The InChIKey is GXGDPZXFGKPSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2S/c1-4-23-16-7-5-6-15(12-16)19-17(21)14-8-10-20(11-9-14)18(22)13(2)3/h13-16H,4-12H2,1-3H3,(H,19,21).
What are the key properties of N-(3-ethylsulfanylcyclohexyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide?
N-(3-ethylsulfanylcyclohexyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide has a molecular weight of 340.53 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanylcyclohexyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 71979355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).