1-carbamothioyl-N-(4,4-dimethylcyclohexyl)cyclobutane-1-carboxamide

C14H24N2OS — CID 80591550

IUPAC1-carbamothioyl-N-(4,4-dimethylcyclohexyl)cyclobutane-1-carboxamide
SMILESCC1(C)CCC(NC(=O)C2(C(N)=S)CCC2)CC1
InChIInChI=1S/C14H24N2OS/c1-13(2)8-4-10(5-9-13)16-12(17)14(11(15)18)6-3-7-14/h10H,3-9H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyKTHIGDNAUFFJBR-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.53
Rot. Bonds3

About 1-carbamothioyl-N-(4,4-dimethylcyclohexyl)cyclobutane-1-carboxamide

1-carbamothioyl-N-(4,4-dimethylcyclohexyl)cyclobutane-1-carboxamide (PubChem CID 80591550) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 1-carbamothioyl-N-(4,4-dimethylcyclohexyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-(4,4-dimethylcyclohexyl)cyclobutane-1-carboxamide
PubChem CID80591550
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name1-carbamothioyl-N-(4,4-dimethylcyclohexyl)cyclobutane-1-carboxamide
SMILESCC1(C)CCC(NC(=O)C2(C(N)=S)CCC2)CC1
InChIInChI=1S/C14H24N2OS/c1-13(2)8-4-10(5-9-13)16-12(17)14(11(15)18)6-3-7-14/h10H,3-9H2,1-2H3,(H2,15,18)(H,16,17)
InChIKeyKTHIGDNAUFFJBR-UHFFFAOYSA-N
XLogP2.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.53
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

1-carbamothioyl-N-(2,2-dimethyloxan-4-yl)cycloheptane-1-carboxamide
CID 83036674
1-carbamothioyl-N-(2,2-dimethylcyclopentyl)cycloheptane-1-carboxamide
CID 79878078
1-carbamothioyl-N-(3-methylsulfanylcyclopentyl)cyclopentane-1-carboxamide
CID 114123290
1-carbamothioyl-N-cycloheptyl-3-methylcyclobutane-1-carboxamide
CID 80592879
1-carbamothioyl-N-(oxolan-3-yl)cyclohexane-1-carboxamide
CID 80713601
1-carbamothioyl-N-(2,3-dihydro-1H-inden-2-yl)cyclobutane-1-carboxamide
CID 107854441
ethyl 4-[(1-carbamothioylcyclopropanecarbonyl)amino]piperidine-1-carboxylate
CID 80592308
1-carbamothioyl-N-(2,3-dimethylcyclopentyl)cyclohexane-1-carboxamide
CID 64910427
N-(1-azabicyclo[2.2.2]octan-3-yl)-1-carbamothioylcyclobutane-1-carboxamide
CID 80591990
4-carbamothioyl-N-(oxan-3-yl)oxane-4-carboxamide
CID 63361491
1-carbamothioyl-N-(1-cyclohexylethyl)cycloheptane-1-carboxamide
CID 62405102
1-carbamothioyl-N-(2-methylbutan-2-yl)cyclobutane-1-carboxamide
CID 80593218

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-(4,4-dimethylcyclohexyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-(4,4-dimethylcyclohexyl)cyclobutane-1-carboxamide (CID 80591550) is 1-carbamothioyl-N-(4,4-dimethylcyclohexyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-(4,4-dimethylcyclohexyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-(4,4-dimethylcyclohexyl)cyclobutane-1-carboxamide is CC1(C)CCC(NC(=O)C2(C(N)=S)CCC2)CC1.
What is the InChIKey of 1-carbamothioyl-N-(4,4-dimethylcyclohexyl)cyclobutane-1-carboxamide?
The InChIKey is KTHIGDNAUFFJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-13(2)8-4-10(5-9-13)16-12(17)14(11(15)18)6-3-7-14/h10H,3-9H2,1-2H3,(H2,15,18)(H,16,17).
What are the key properties of 1-carbamothioyl-N-(4,4-dimethylcyclohexyl)cyclobutane-1-carboxamide?
1-carbamothioyl-N-(4,4-dimethylcyclohexyl)cyclobutane-1-carboxamide has a molecular weight of 268.43 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-(4,4-dimethylcyclohexyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 80591550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).