1-carbamothioyl-N-cycloheptyl-3-methylcyclobutane-1-carboxamide

C14H24N2OS — CID 80592879

IUPAC1-carbamothioyl-N-cycloheptyl-3-methylcyclobutane-1-carboxamide
SMILESCC1CC(C(=O)NC2CCCCCC2)(C(N)=S)C1
InChIInChI=1S/C14H24N2OS/c1-10-8-14(9-10,12(15)18)13(17)16-11-6-4-2-3-5-7-11/h10-11H,2-9H2,1H3,(H2,15,18)(H,16,17)
InChIKeyGVEGDQGXNKYWBJ-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.53
Rot. Bonds3

About 1-carbamothioyl-N-cycloheptyl-3-methylcyclobutane-1-carboxamide

1-carbamothioyl-N-cycloheptyl-3-methylcyclobutane-1-carboxamide (PubChem CID 80592879) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 1-carbamothioyl-N-cycloheptyl-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-cycloheptyl-3-methylcyclobutane-1-carboxamide
PubChem CID80592879
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name1-carbamothioyl-N-cycloheptyl-3-methylcyclobutane-1-carboxamide
SMILESCC1CC(C(=O)NC2CCCCCC2)(C(N)=S)C1
InChIInChI=1S/C14H24N2OS/c1-10-8-14(9-10,12(15)18)13(17)16-11-6-4-2-3-5-7-11/h10-11H,2-9H2,1H3,(H2,15,18)(H,16,17)
InChIKeyGVEGDQGXNKYWBJ-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

N-cyclohexyl-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide
CID 80590346
1-carbamothioyl-N-(cyclohexylmethyl)-3-methylcyclobutane-1-carboxamide
CID 80593156
1-carbamothioyl-N-(4,4-dimethylcyclohexyl)cyclobutane-1-carboxamide
CID 80591550
1-N-cyclohexyl-1-N'-cyclopropylcyclopropane-1,1-dicarboxamide
CID 108970589
N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-carbamothioyl-3-methylcyclobutane-1-carboxamide
CID 80590199
1-carbamothioyl-N-cyclopentyl-N,3-dimethylcyclobutane-1-carboxamide
CID 80593126
1-carbamothioyl-N-(2,2-dimethyloxan-4-yl)cycloheptane-1-carboxamide
CID 83036674
1-carbamothioyl-3-methyl-N-(oxolan-2-ylmethyl)cyclobutane-1-carboxamide
CID 80591611
N-cyclooctyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
CID 80590605
1-carbamothioyl-3-methyl-N-(3-methylpentan-3-yl)cyclobutane-1-carboxamide
CID 106329041
1-carbamothioyl-3-methyl-N-pentan-2-ylcyclobutane-1-carboxamide
CID 80592713
N-(5-amino-5-oxopentyl)-1-carbamothioyl-3-methylcyclobutane-1-carboxamide
CID 114162224

Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-cycloheptyl-3-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-cycloheptyl-3-methylcyclobutane-1-carboxamide (CID 80592879) is 1-carbamothioyl-N-cycloheptyl-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-cycloheptyl-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-cycloheptyl-3-methylcyclobutane-1-carboxamide is CC1CC(C(=O)NC2CCCCCC2)(C(N)=S)C1.
What is the InChIKey of 1-carbamothioyl-N-cycloheptyl-3-methylcyclobutane-1-carboxamide?
The InChIKey is GVEGDQGXNKYWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-10-8-14(9-10,12(15)18)13(17)16-11-6-4-2-3-5-7-11/h10-11H,2-9H2,1H3,(H2,15,18)(H,16,17).
What are the key properties of 1-carbamothioyl-N-cycloheptyl-3-methylcyclobutane-1-carboxamide?
1-carbamothioyl-N-cycloheptyl-3-methylcyclobutane-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-cycloheptyl-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 80592879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).