N-(1-carbamothioyl-4-ethylcyclohexyl)-3-methylpiperidine-1-carboxamide

C16H29N3OS — CID 79158410

IUPACN-(1-carbamothioyl-4-ethylcyclohexyl)-3-methylpiperidine-1-carboxamide
SMILESCCC1CCC(NC(=O)N2CCCC(C)C2)(C(N)=S)CC1
InChIInChI=1S/C16H29N3OS/c1-3-13-6-8-16(9-7-13,14(17)21)18-15(20)19-10-4-5-12(2)11-19/h12-13H,3-11H2,1-2H3,(H2,17,21)(H,18,20)
InChIKeyDWQBHUZHEQWKCB-UHFFFAOYSA-N
MW311.50 g/mol
LogP3.05
Rot. Bonds3

About N-(1-carbamothioyl-4-ethylcyclohexyl)-3-methylpiperidine-1-carboxamide

N-(1-carbamothioyl-4-ethylcyclohexyl)-3-methylpiperidine-1-carboxamide (PubChem CID 79158410) has the molecular formula C16H29N3OS and a molecular weight of 311.50 g/mol. Its IUPAC name is N-(1-carbamothioyl-4-ethylcyclohexyl)-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-carbamothioyl-4-ethylcyclohexyl)-3-methylpiperidine-1-carboxamide
PubChem CID79158410
Molecular FormulaC16H29N3OS
Molecular Weight311.50 g/mol
Exact Mass311.20
IUPAC NameN-(1-carbamothioyl-4-ethylcyclohexyl)-3-methylpiperidine-1-carboxamide
SMILESCCC1CCC(NC(=O)N2CCCC(C)C2)(C(N)=S)CC1
InChIInChI=1S/C16H29N3OS/c1-3-13-6-8-16(9-7-13,14(17)21)18-15(20)19-10-4-5-12(2)11-19/h12-13H,3-11H2,1-2H3,(H2,17,21)(H,18,20)
InChIKeyDWQBHUZHEQWKCB-UHFFFAOYSA-N
XLogP3.05
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(1-carbamimidoylcyclooctyl)-3-methylpiperidine-1-carboxamide
CID 79159064
N-(1-carbamothioyl-4-ethylcyclohexyl)benzamide
CID 61121408
N-(1-carbamothioylcyclohexyl)pyrrolidine-1-carboxamide
CID 79161728
N-(1-amino-3-methyl-1-sulfanylidenebutan-2-yl)-3-methylpiperidine-1-carboxamide
CID 79159951
N-(1-carbamothioyl-4-ethylcyclohexyl)-2-methoxy-2-methylpropanamide
CID 103020316
4-[(3-ethylpiperidine-1-carbonyl)amino]oxane-4-carboxylic acid
CID 115292892
N-(4-carbamothioyl-1-methylpiperidin-4-yl)azepane-1-carboxamide
CID 79152894
N-ethyl-3-methylpiperidine-1-carboxamide
CID 89048200
1-(4-ethylazepane-1-carbonyl)cyclobutane-1-carbothioamide
CID 80590481
N-[(1-hydroxycyclopentyl)methyl]-3-methylpiperidine-1-carboxamide
CID 79159286
N-(4-amino-4-sulfanylidenebutyl)-3-methylpiperidine-1-carboxamide
CID 79159564
N-(1-carbamothioyl-4-ethylcyclohexyl)-4-methylthiophene-3-carboxamide
CID 79802020

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamothioyl-4-ethylcyclohexyl)-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-(1-carbamothioyl-4-ethylcyclohexyl)-3-methylpiperidine-1-carboxamide (CID 79158410) is N-(1-carbamothioyl-4-ethylcyclohexyl)-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(1-carbamothioyl-4-ethylcyclohexyl)-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(1-carbamothioyl-4-ethylcyclohexyl)-3-methylpiperidine-1-carboxamide is CCC1CCC(NC(=O)N2CCCC(C)C2)(C(N)=S)CC1.
What is the InChIKey of N-(1-carbamothioyl-4-ethylcyclohexyl)-3-methylpiperidine-1-carboxamide?
The InChIKey is DWQBHUZHEQWKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-3-13-6-8-16(9-7-13,14(17)21)18-15(20)19-10-4-5-12(2)11-19/h12-13H,3-11H2,1-2H3,(H2,17,21)(H,18,20).
What are the key properties of N-(1-carbamothioyl-4-ethylcyclohexyl)-3-methylpiperidine-1-carboxamide?
N-(1-carbamothioyl-4-ethylcyclohexyl)-3-methylpiperidine-1-carboxamide has a molecular weight of 311.50 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamothioyl-4-ethylcyclohexyl)-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 79158410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).