3-(cyclopentylsulfamoyl)benzenecarbothioamide

C12H16N2O2S2 — CID 24690582

IUPAC3-(cyclopentylsulfamoyl)benzenecarbothioamide
SMILESNC(=S)c1cccc(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C12H16N2O2S2/c13-12(17)9-4-3-7-11(8-9)18(15,16)14-10-5-1-2-6-10/h3-4,7-8,10,14H,1-2,5-6H2,(H2,13,17)
InChIKeyYEJGELZYSXMPBF-UHFFFAOYSA-N
MW284.41 g/mol
LogP1.54
Rot. Bonds4

About 3-(cyclopentylsulfamoyl)benzenecarbothioamide

3-(cyclopentylsulfamoyl)benzenecarbothioamide (PubChem CID 24690582) has the molecular formula C12H16N2O2S2 and a molecular weight of 284.41 g/mol. Its IUPAC name is 3-(cyclopentylsulfamoyl)benzenecarbothioamide.

Molecular Properties

Compound Name3-(cyclopentylsulfamoyl)benzenecarbothioamide
PubChem CID24690582
Molecular FormulaC12H16N2O2S2
Molecular Weight284.41 g/mol
Exact Mass284.07
IUPAC Name3-(cyclopentylsulfamoyl)benzenecarbothioamide
SMILESNC(=S)c1cccc(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C12H16N2O2S2/c13-12(17)9-4-3-7-11(8-9)18(15,16)14-10-5-1-2-6-10/h3-4,7-8,10,14H,1-2,5-6H2,(H2,13,17)
InChIKeyYEJGELZYSXMPBF-UHFFFAOYSA-N
XLogP1.54
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 51.54
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

3-(cycloheptylsulfamoyl)benzenecarbothioamide
CID 43346188
3-[(3-methylcyclobutyl)sulfamoyl]benzenecarbothioamide
CID 113467242
3-(cyclohexylsulfamoyl)-N-cyclopentylbenzamide
CID 109063195
3-[(2-oxooxolan-3-yl)sulfamoyl]benzenecarbothioamide
CID 43822814
3-(cyclopentylsulfamoyl)-N-ethylbenzamide
CID 30830540
3-(cyclohexylsulfamoylmethyl)benzenecarbothioamide
CID 60999163
3-(cyclopentylsulfamoyl)-N-(2-hydroxyethyl)benzamide
CID 78854342
5-[[3-(cyclopentylsulfamoyl)benzoyl]amino]-2,4-difluorobenzamide
CID 56570757
N-[2-(aminomethyl)cyclopentyl]-3-(cyclopentylsulfamoyl)benzamide
CID 119600674
N-(1-amino-2-methylpropan-2-yl)-3-(cyclopentylsulfamoyl)benzamide;hydrochloride
CID 119521472
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-N-cyclopentylbenzenesulfonamide;hydrochloride
CID 119409335
N-cyclooctyl-3-methylbenzenesulfonamide
CID 2497018

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylsulfamoyl)benzenecarbothioamide?
The IUPAC name of 3-(cyclopentylsulfamoyl)benzenecarbothioamide (CID 24690582) is 3-(cyclopentylsulfamoyl)benzenecarbothioamide.
What is the SMILES notation for 3-(cyclopentylsulfamoyl)benzenecarbothioamide?
The canonical SMILES for 3-(cyclopentylsulfamoyl)benzenecarbothioamide is NC(=S)c1cccc(S(=O)(=O)NC2CCCC2)c1.
What is the InChIKey of 3-(cyclopentylsulfamoyl)benzenecarbothioamide?
The InChIKey is YEJGELZYSXMPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S2/c13-12(17)9-4-3-7-11(8-9)18(15,16)14-10-5-1-2-6-10/h3-4,7-8,10,14H,1-2,5-6H2,(H2,13,17).
What are the key properties of 3-(cyclopentylsulfamoyl)benzenecarbothioamide?
3-(cyclopentylsulfamoyl)benzenecarbothioamide has a molecular weight of 284.41 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylsulfamoyl)benzenecarbothioamide is sourced from PubChem (CID 24690582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).