N-[(thiophene-2-carbonylamino)carbamothioyl]cyclohexanecarboxamide

C13H17N3O2S2 — CID 4507493

IUPACN-[(thiophene-2-carbonylamino)carbamothioyl]cyclohexanecarboxamide
SMILESO=C(NNC(=S)NC(=O)C1CCCCC1)c1cccs1
InChIInChI=1S/C13H17N3O2S2/c17-11(9-5-2-1-3-6-9)14-13(19)16-15-12(18)10-7-4-8-20-10/h4,7-9H,1-3,5-6H2,(H,15,18)(H2,14,16,17,19)
InChIKeyLHJJUSDTAFFZDL-UHFFFAOYSA-N
MW311.43 g/mol
LogP1.96
Rot. Bonds2

About N-[(thiophene-2-carbonylamino)carbamothioyl]cyclohexanecarboxamide

N-[(thiophene-2-carbonylamino)carbamothioyl]cyclohexanecarboxamide (PubChem CID 4507493) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-[(thiophene-2-carbonylamino)carbamothioyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(thiophene-2-carbonylamino)carbamothioyl]cyclohexanecarboxamide
PubChem CID4507493
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC NameN-[(thiophene-2-carbonylamino)carbamothioyl]cyclohexanecarboxamide
SMILESO=C(NNC(=S)NC(=O)C1CCCCC1)c1cccs1
InChIInChI=1S/C13H17N3O2S2/c17-11(9-5-2-1-3-6-9)14-13(19)16-15-12(18)10-7-4-8-20-10/h4,7-9H,1-3,5-6H2,(H,15,18)(H2,14,16,17,19)
InChIKeyLHJJUSDTAFFZDL-UHFFFAOYSA-N
XLogP1.96
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopentyl-N-[(thiophene-2-carbonylamino)carbamothioyl]acetamide
CID 54786564
N-[(pyridine-4-carbonylamino)carbamothioyl]cyclohexanecarboxamide
CID 4507490
trans-(1R,2R)-2-[(thiophene-2-carbonylamino)carbamoyl]cyclohexane-1-carboxylic acid
CID 6544086
N-[[(2-aminobenzoyl)amino]carbamothioyl]cyclopentanecarboxamide
CID 136575719
2-fluoro-N-[(thiophene-2-carbonylamino)carbamothioyl]benzamide
CID 3324993
N-[[(1R,2S)-2-methylcyclohexyl]carbamothioyl]thiophene-2-carboxamide
CID 2381843
3-bromo-N-[(thiophene-2-carbonylamino)carbamothioyl]benzamide
CID 3324996
N-(2-methylpiperidine-1-carbothioyl)thiophene-2-carboxamide
CID 5201242
N-[3-(cyclobutanecarbonylamino)phenyl]thiophene-2-carboxamide
CID 31518537
N-(anilinocarbamothioyl)thiophene-2-carboxamide
CID 17100252
N-[4-(cyclohexylamino)phenyl]thiophene-2-carboxamide
CID 112980718
1-(4-bromophenyl)-3-(thiophene-2-carbonylamino)thiourea
CID 18708934

Frequently Asked Questions

What is the IUPAC name of N-[(thiophene-2-carbonylamino)carbamothioyl]cyclohexanecarboxamide?
The IUPAC name of N-[(thiophene-2-carbonylamino)carbamothioyl]cyclohexanecarboxamide (CID 4507493) is N-[(thiophene-2-carbonylamino)carbamothioyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(thiophene-2-carbonylamino)carbamothioyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(thiophene-2-carbonylamino)carbamothioyl]cyclohexanecarboxamide is O=C(NNC(=S)NC(=O)C1CCCCC1)c1cccs1.
What is the InChIKey of N-[(thiophene-2-carbonylamino)carbamothioyl]cyclohexanecarboxamide?
The InChIKey is LHJJUSDTAFFZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c17-11(9-5-2-1-3-6-9)14-13(19)16-15-12(18)10-7-4-8-20-10/h4,7-9H,1-3,5-6H2,(H,15,18)(H2,14,16,17,19).
What are the key properties of N-[(thiophene-2-carbonylamino)carbamothioyl]cyclohexanecarboxamide?
N-[(thiophene-2-carbonylamino)carbamothioyl]cyclohexanecarboxamide has a molecular weight of 311.43 g/mol, XLogP of 1.96, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(thiophene-2-carbonylamino)carbamothioyl]cyclohexanecarboxamide is sourced from PubChem (CID 4507493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).