1-carbamothioyl-N-(2,3-dimethylcyclopentyl)cyclohexane-1-carboxamide

C15H26N2OS — CID 64910427

IUPAC1-carbamothioyl-N-(2,3-dimethylcyclopentyl)cyclohexane-1-carboxamide
SMILESCC1CCC(NC(=O)C2(C(N)=S)CCCCC2)C1C
InChIInChI=1S/C15H26N2OS/c1-10-6-7-12(11(10)2)17-14(18)15(13(16)19)8-4-3-5-9-15/h10-12H,3-9H2,1-2H3,(H2,16,19)(H,17,18)
InChIKeyVLZYUOPLQDZLJZ-UHFFFAOYSA-N
MW282.45 g/mol
LogP2.77
Rot. Bonds3

About 1-carbamothioyl-N-(2,3-dimethylcyclopentyl)cyclohexane-1-carboxamide

1-carbamothioyl-N-(2,3-dimethylcyclopentyl)cyclohexane-1-carboxamide (PubChem CID 64910427) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 1-carbamothioyl-N-(2,3-dimethylcyclopentyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-carbamothioyl-N-(2,3-dimethylcyclopentyl)cyclohexane-1-carboxamide
PubChem CID64910427
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name1-carbamothioyl-N-(2,3-dimethylcyclopentyl)cyclohexane-1-carboxamide
SMILESCC1CCC(NC(=O)C2(C(N)=S)CCCCC2)C1C
InChIInChI=1S/C15H26N2OS/c1-10-6-7-12(11(10)2)17-14(18)15(13(16)19)8-4-3-5-9-15/h10-12H,3-9H2,1-2H3,(H2,16,19)(H,17,18)
InChIKeyVLZYUOPLQDZLJZ-UHFFFAOYSA-N
XLogP2.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-carbamothioyl-N-(2,3-dimethylcyclopentyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-carbamothioyl-N-(2,3-dimethylcyclopentyl)cyclohexane-1-carboxamide (CID 64910427) is 1-carbamothioyl-N-(2,3-dimethylcyclopentyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-carbamothioyl-N-(2,3-dimethylcyclopentyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-carbamothioyl-N-(2,3-dimethylcyclopentyl)cyclohexane-1-carboxamide is CC1CCC(NC(=O)C2(C(N)=S)CCCCC2)C1C.
What is the InChIKey of 1-carbamothioyl-N-(2,3-dimethylcyclopentyl)cyclohexane-1-carboxamide?
The InChIKey is VLZYUOPLQDZLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-10-6-7-12(11(10)2)17-14(18)15(13(16)19)8-4-3-5-9-15/h10-12H,3-9H2,1-2H3,(H2,16,19)(H,17,18).
What are the key properties of 1-carbamothioyl-N-(2,3-dimethylcyclopentyl)cyclohexane-1-carboxamide?
1-carbamothioyl-N-(2,3-dimethylcyclopentyl)cyclohexane-1-carboxamide has a molecular weight of 282.45 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamothioyl-N-(2,3-dimethylcyclopentyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 64910427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).