N-[[(1R,2S)-2-methylcyclohexyl]carbamothioyl]thiophene-2-carboxamide

C13H18N2OS2 — CID 2381843

IUPACN-[[(1R,2S)-2-methylcyclohexyl]carbamothioyl]thiophene-2-carboxamide
SMILESC[C@H]1CCCC[C@H]1NC(=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)/t9-,10+/m0/s1
InChIKeyVKIZTLLBEBMLGG-VHSXEESVSA-N
MW282.43 g/mol
LogP2.93
Rot. Bonds2

About N-[[(1R,2S)-2-methylcyclohexyl]carbamothioyl]thiophene-2-carboxamide

N-[[(1R,2S)-2-methylcyclohexyl]carbamothioyl]thiophene-2-carboxamide (PubChem CID 2381843) has the molecular formula C13H18N2OS2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N-[[(1R,2S)-2-methylcyclohexyl]carbamothioyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[(1R,2S)-2-methylcyclohexyl]carbamothioyl]thiophene-2-carboxamide
PubChem CID2381843
Molecular FormulaC13H18N2OS2
Molecular Weight282.43 g/mol
Exact Mass282.09
IUPAC NameN-[[(1R,2S)-2-methylcyclohexyl]carbamothioyl]thiophene-2-carboxamide
SMILESC[C@H]1CCCC[C@H]1NC(=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)/t9-,10+/m0/s1
InChIKeyVKIZTLLBEBMLGG-VHSXEESVSA-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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Related Compounds

N-(2,3-dimethylcyclohexyl)thiophene-2-carboxamide
CID 4072672
1-(2-methylcyclohexyl)-3-(thiophen-2-ylmethyl)thiourea
CID 46800412
2-bromo-N-[[(1S,2R)-2-methylcyclohexyl]carbamothioyl]benzamide
CID 2375689
(2S)-N-[(1R,2R)-2-methylcyclohexyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 92954382
[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 2-(thiophene-2-carbonylamino)acetate
CID 8662347
(3S)-N-[(1R,2R)-2-methylcyclohexyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 124743110
(3S)-N-[(1S,2R)-2-methylcyclohexyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 124743109
N-(2-chlorocyclohexyl)thiophene-2-carboxamide
CID 114301056
N-(2-methylpiperidine-1-carbothioyl)thiophene-2-carboxamide
CID 5201242
N-[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 11896927
(Z)-N-[(1S,2R)-2-methylcyclohexyl]-3-thiophen-2-ylprop-2-enamide
CID 92909639
N-[(thiophene-2-carbonylamino)carbamothioyl]cyclohexanecarboxamide
CID 4507493

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2S)-2-methylcyclohexyl]carbamothioyl]thiophene-2-carboxamide?
The IUPAC name of N-[[(1R,2S)-2-methylcyclohexyl]carbamothioyl]thiophene-2-carboxamide (CID 2381843) is N-[[(1R,2S)-2-methylcyclohexyl]carbamothioyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[(1R,2S)-2-methylcyclohexyl]carbamothioyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[(1R,2S)-2-methylcyclohexyl]carbamothioyl]thiophene-2-carboxamide is C[C@H]1CCCC[C@H]1NC(=S)NC(=O)c1cccs1.
What is the InChIKey of N-[[(1R,2S)-2-methylcyclohexyl]carbamothioyl]thiophene-2-carboxamide?
The InChIKey is VKIZTLLBEBMLGG-VHSXEESVSA-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)/t9-,10+/m0/s1.
What are the key properties of N-[[(1R,2S)-2-methylcyclohexyl]carbamothioyl]thiophene-2-carboxamide?
N-[[(1R,2S)-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-[[(1R,2S)-2-methylcyclohexyl]carbamothioyl]thiophene-2-carboxamide is sourced from PubChem (CID 2381843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).