N-(1-carbamothioyl-4-methylcyclohexyl)-3-(furan-2-yl)propanamide

C15H22N2O2S — CID 61119958

IUPACN-(1-carbamothioyl-4-methylcyclohexyl)-3-(furan-2-yl)propanamide
SMILESCC1CCC(NC(=O)CCc2ccco2)(C(N)=S)CC1
InChIInChI=1S/C15H22N2O2S/c1-11-6-8-15(9-7-11,14(16)20)17-13(18)5-4-12-3-2-10-19-12/h2-3,10-11H,4-9H2,1H3,(H2,16,20)(H,17,18)
InChIKeyLKPJRQIASUHHIQ-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.56
Rot. Bonds5

About N-(1-carbamothioyl-4-methylcyclohexyl)-3-(furan-2-yl)propanamide

N-(1-carbamothioyl-4-methylcyclohexyl)-3-(furan-2-yl)propanamide (PubChem CID 61119958) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-(1-carbamothioyl-4-methylcyclohexyl)-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-(1-carbamothioyl-4-methylcyclohexyl)-3-(furan-2-yl)propanamide
PubChem CID61119958
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-(1-carbamothioyl-4-methylcyclohexyl)-3-(furan-2-yl)propanamide
SMILESCC1CCC(NC(=O)CCc2ccco2)(C(N)=S)CC1
InChIInChI=1S/C15H22N2O2S/c1-11-6-8-15(9-7-11,14(16)20)17-13(18)5-4-12-3-2-10-19-12/h2-3,10-11H,4-9H2,1H3,(H2,16,20)(H,17,18)
InChIKeyLKPJRQIASUHHIQ-UHFFFAOYSA-N
XLogP2.56
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(furan-2-ylmethylamino)-4-methylcyclohexane-1-carboxylic acid
CID 114990378
2-bromo-N-(1-carbamothioyl-4-methylcyclohexyl)furan-3-carboxamide
CID 106852171
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-3-(furan-2-yl)propanamide
CID 61123204
N-[1-(bromomethyl)cyclohexyl]-3-(furan-2-yl)propanamide
CID 113275468
N-(1-carbamothioyl-4-methylcyclohexyl)-4-ethylbenzamide
CID 61121732
N-(1-carbamothioyl-4-methylcyclohexyl)-3-(2,2-difluoroethoxy)propanamide
CID 103208332
3-(furan-2-yl)-N-(2-methylpiperidin-4-yl)propanamide
CID 106995480
N-(1-carbamothioyl-4-methylcyclohexyl)-2-(oxolan-2-yl)acetamide
CID 65156767
N-ethyl-3-(furan-2-yl)propanamide
CID 60690706
1-cyclobutyl-3-(furan-2-yl)propan-1-one
CID 105133720
2-[3-(furan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 64813064
N-(3-cyclopentyl-3-oxopropyl)-3-(furan-2-yl)propanamide
CID 58762649

Frequently Asked Questions

What is the IUPAC name of N-(1-carbamothioyl-4-methylcyclohexyl)-3-(furan-2-yl)propanamide?
The IUPAC name of N-(1-carbamothioyl-4-methylcyclohexyl)-3-(furan-2-yl)propanamide (CID 61119958) is N-(1-carbamothioyl-4-methylcyclohexyl)-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-(1-carbamothioyl-4-methylcyclohexyl)-3-(furan-2-yl)propanamide?
The canonical SMILES for N-(1-carbamothioyl-4-methylcyclohexyl)-3-(furan-2-yl)propanamide is CC1CCC(NC(=O)CCc2ccco2)(C(N)=S)CC1.
What is the InChIKey of N-(1-carbamothioyl-4-methylcyclohexyl)-3-(furan-2-yl)propanamide?
The InChIKey is LKPJRQIASUHHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-11-6-8-15(9-7-11,14(16)20)17-13(18)5-4-12-3-2-10-19-12/h2-3,10-11H,4-9H2,1H3,(H2,16,20)(H,17,18).
What are the key properties of N-(1-carbamothioyl-4-methylcyclohexyl)-3-(furan-2-yl)propanamide?
N-(1-carbamothioyl-4-methylcyclohexyl)-3-(furan-2-yl)propanamide has a molecular weight of 294.42 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamothioyl-4-methylcyclohexyl)-3-(furan-2-yl)propanamide is sourced from PubChem (CID 61119958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).