N-[(2-methylcyclohexyl)carbamothioyl]thiophene-2-carboxamide

C13H18N2OS2 — CID 3474248

IUPACN-[(2-methylcyclohexyl)carbamothioyl]thiophene-2-carboxamide
SMILESCC1CCCCC1NC(=S)NC(=O)c1cccs1
InChIInChI=1S/C13H18N2OS2/c1-9-5-2-3-6-10(9)14-13(17)15-12(16)11-7-4-8-18-11/h4,7-10H,2-3,5-6H2,1H3,(H2,14,15,16,17)
InChIKeyVKIZTLLBEBMLGG-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.93
Rot. Bonds2

About N-[(2-methylcyclohexyl)carbamothioyl]thiophene-2-carboxamide

N-[(2-methylcyclohexyl)carbamothioyl]thiophene-2-carboxamide (PubChem CID 3474248) has the molecular formula C13H18N2OS2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[(2-methylcyclohexyl)carbamothioyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2-methylcyclohexyl)carbamothioyl]thiophene-2-carboxamide
PubChem CID3474248
Molecular FormulaC13H18N2OS2
Molecular Weight282.43 g/mol
Exact Mass282.09
IUPAC NameN-[(2-methylcyclohexyl)carbamothioyl]thiophene-2-carboxamide
SMILESCC1CCCCC1NC(=S)NC(=O)c1cccs1
InChIInChI=1S/C13H18N2OS2/c1-9-5-2-3-6-10(9)14-13(17)15-12(16)11-7-4-8-18-11/h4,7-10H,2-3,5-6H2,1H3,(H2,14,15,16,17)
InChIKeyVKIZTLLBEBMLGG-UHFFFAOYSA-N
XLogP2.93
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 N-[(2-methylcyclohexyl)carbamothioyl]thiophene-2-carboxamide?
The IUPAC name of N-[(2-methylcyclohexyl)carbamothioyl]thiophene-2-carboxamide (CID 3474248) is N-[(2-methylcyclohexyl)carbamothioyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2-methylcyclohexyl)carbamothioyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2-methylcyclohexyl)carbamothioyl]thiophene-2-carboxamide is CC1CCCCC1NC(=S)NC(=O)c1cccs1.
What is the InChIKey of N-[(2-methylcyclohexyl)carbamothioyl]thiophene-2-carboxamide?
The InChIKey is VKIZTLLBEBMLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS2/c1-9-5-2-3-6-10(9)14-13(17)15-12(16)11-7-4-8-18-11/h4,7-10H,2-3,5-6H2,1H3,(H2,14,15,16,17).
What are the key properties of N-[(2-methylcyclohexyl)carbamothioyl]thiophene-2-carboxamide?
N-[(2-methylcyclohexyl)carbamothioyl]thiophene-2-carboxamide has a molecular weight of 282.43 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclohexyl)carbamothioyl]thiophene-2-carboxamide is sourced from PubChem (CID 3474248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).