1-carbamothioyl-N-(cyclohexylmethyl)-3-methylcyclobutane-1-carboxamide

C14H24N2OS — CID 80593156

IUPAC1-carbamothioyl-N-(cyclohexylmethyl)-3-methylcyclobutane-1-carboxamide
SMILESCC1CC(C(=O)NCC2CCCCC2)(C(N)=S)C1
InChIInChI=1S/C14H24N2OS/c1-10-7-14(8-10,12(15)18)13(17)16-9-11-5-3-2-4-6-11/h10-11H,2-9H2,1H3,(H2,15,18)(H,16,17)
InChIKeyXCCGXSRUPWSJAU-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.39
Rot. Bonds4

About 1-carbamothioyl-N-(cyclohexylmethyl)-3-methylcyclobutane-1-carboxamide

1-carbamothioyl-N-(cyclohexylmethyl)-3-methylcyclobutane-1-carboxamide (PubChem CID 80593156) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 1-carbamothioyl-N-(cyclohexylmethyl)-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-(cyclohexylmethyl)-3-methylcyclobutane-1-carboxamide
PubChem CID80593156
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name1-carbamothioyl-N-(cyclohexylmethyl)-3-methylcyclobutane-1-carboxamide
SMILESCC1CC(C(=O)NCC2CCCCC2)(C(N)=S)C1
InChIInChI=1S/C14H24N2OS/c1-10-7-14(8-10,12(15)18)13(17)16-9-11-5-3-2-4-6-11/h10-11H,2-9H2,1H3,(H2,15,18)(H,16,17)
InChIKeyXCCGXSRUPWSJAU-UHFFFAOYSA-N
XLogP2.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.39
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-(cyclohexylmethyl)-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide
CID 80597288
N-(cyclobutylmethyl)-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide
CID 80596836
1-carbamothioyl-3-methyl-N-(oxolan-2-ylmethyl)cyclobutane-1-carboxamide
CID 80591611
1-carbamothioyl-N-cycloheptyl-3-methylcyclobutane-1-carboxamide
CID 80592879
1-carbamothioyl-3-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutane-1-carboxamide
CID 106023710
1-carbamothioyl-N-(cyclopropylmethyl)cyclopropane-1-carboxamide
CID 80592274
1-carbamothioyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-methylcyclobutane-1-carboxamide
CID 80593111
ethyl 2-[(1-carbamothioyl-3-methylcyclobutanecarbonyl)amino]acetate
CID 80590232
N-(5-amino-5-oxopentyl)-1-carbamothioyl-3-methylcyclobutane-1-carboxamide
CID 114162224
1-carbamothioyl-3-methyl-N-(3,3,3-trifluoropropyl)cyclobutane-1-carboxamide
CID 80591455
1-carbamothioyl-3-methyl-N-(2-methylbutyl)cyclobutane-1-carboxamide
CID 80590120
ethyl 1-(cyclohexylmethylcarbamoyl)cyclobutane-1-carboxylate
CID 175632090

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-(cyclohexylmethyl)-3-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-(cyclohexylmethyl)-3-methylcyclobutane-1-carboxamide (CID 80593156) is 1-carbamothioyl-N-(cyclohexylmethyl)-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-(cyclohexylmethyl)-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-(cyclohexylmethyl)-3-methylcyclobutane-1-carboxamide is CC1CC(C(=O)NCC2CCCCC2)(C(N)=S)C1.
What is the InChIKey of 1-carbamothioyl-N-(cyclohexylmethyl)-3-methylcyclobutane-1-carboxamide?
The InChIKey is XCCGXSRUPWSJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-10-7-14(8-10,12(15)18)13(17)16-9-11-5-3-2-4-6-11/h10-11H,2-9H2,1H3,(H2,15,18)(H,16,17).
What are the key properties of 1-carbamothioyl-N-(cyclohexylmethyl)-3-methylcyclobutane-1-carboxamide?
1-carbamothioyl-N-(cyclohexylmethyl)-3-methylcyclobutane-1-carboxamide has a molecular weight of 268.43 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-(cyclohexylmethyl)-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 80593156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).