5-[(3-ethylsulfanylcyclopentyl)sulfamoyl]thiophene-2-carbothioamide

C12H18N2O2S4 — CID 106272138

IUPAC5-[(3-ethylsulfanylcyclopentyl)sulfamoyl]thiophene-2-carbothioamide
SMILESCCSC1CCC(NS(=O)(=O)c2ccc(C(N)=S)s2)C1
InChIInChI=1S/C12H18N2O2S4/c1-2-18-9-4-3-8(7-9)14-20(15,16)11-6-5-10(19-11)12(13)17/h5-6,8-9,14H,2-4,7H2,1H3,(H2,13,17)
InChIKeyCAXUMRASZGTLJM-UHFFFAOYSA-N
MW350.56 g/mol
LogP2.33
Rot. Bonds6

About 5-[(3-ethylsulfanylcyclopentyl)sulfamoyl]thiophene-2-carbothioamide

5-[(3-ethylsulfanylcyclopentyl)sulfamoyl]thiophene-2-carbothioamide (PubChem CID 106272138) has the molecular formula C12H18N2O2S4 and a molecular weight of 350.56 g/mol. Its IUPAC name is 5-[(3-ethylsulfanylcyclopentyl)sulfamoyl]thiophene-2-carbothioamide.

Molecular Properties

Compound Name5-[(3-ethylsulfanylcyclopentyl)sulfamoyl]thiophene-2-carbothioamide
PubChem CID106272138
Molecular FormulaC12H18N2O2S4
Molecular Weight350.56 g/mol
Exact Mass350.03
IUPAC Name5-[(3-ethylsulfanylcyclopentyl)sulfamoyl]thiophene-2-carbothioamide
SMILESCCSC1CCC(NS(=O)(=O)c2ccc(C(N)=S)s2)C1
InChIInChI=1S/C12H18N2O2S4/c1-2-18-9-4-3-8(7-9)14-20(15,16)11-6-5-10(19-11)12(13)17/h5-6,8-9,14H,2-4,7H2,1H3,(H2,13,17)
InChIKeyCAXUMRASZGTLJM-UHFFFAOYSA-N
XLogP2.33
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.56
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N-(3-ethylsulfanylcyclopentyl)benzenesulfonamide
CID 113242763
N-(3-ethylsulfanylcyclopentyl)-2-methylbenzenesulfonamide
CID 113248074
N-(3-ethylsulfanylcyclopentyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106091523
5-(1-methylsulfanylbutan-2-ylsulfamoyl)thiophene-2-carbothioamide
CID 106271839
3-[(5-carbamothioylthiophen-2-yl)sulfonylamino]-N-cyclopropylpropanamide
CID 106271482
5-[(3-methylcyclopentyl)methylsulfamoyl]thiophene-2-carbothioamide
CID 106272019
N-(3-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)thiophene-3-sulfonamide
CID 106001330
N-(3-ethylsulfanylcyclopentyl)-4-fluoro-3-(hydroxymethyl)benzenesulfonamide
CID 106001324
3-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-4-fluorobenzenesulfonamide
CID 106091483
5-[(2-methyl-2-methylsulfanylpropyl)sulfamoyl]thiophene-2-carbothioamide
CID 114166719
N-(3-ethylsulfanylcyclopentyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 114123634
5-[(1-ethylpiperidin-4-yl)methylsulfamoyl]thiophene-2-carbothioamide
CID 106270897

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethylsulfanylcyclopentyl)sulfamoyl]thiophene-2-carbothioamide?
The IUPAC name of 5-[(3-ethylsulfanylcyclopentyl)sulfamoyl]thiophene-2-carbothioamide (CID 106272138) is 5-[(3-ethylsulfanylcyclopentyl)sulfamoyl]thiophene-2-carbothioamide.
What is the SMILES notation for 5-[(3-ethylsulfanylcyclopentyl)sulfamoyl]thiophene-2-carbothioamide?
The canonical SMILES for 5-[(3-ethylsulfanylcyclopentyl)sulfamoyl]thiophene-2-carbothioamide is CCSC1CCC(NS(=O)(=O)c2ccc(C(N)=S)s2)C1.
What is the InChIKey of 5-[(3-ethylsulfanylcyclopentyl)sulfamoyl]thiophene-2-carbothioamide?
The InChIKey is CAXUMRASZGTLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S4/c1-2-18-9-4-3-8(7-9)14-20(15,16)11-6-5-10(19-11)12(13)17/h5-6,8-9,14H,2-4,7H2,1H3,(H2,13,17).
What are the key properties of 5-[(3-ethylsulfanylcyclopentyl)sulfamoyl]thiophene-2-carbothioamide?
5-[(3-ethylsulfanylcyclopentyl)sulfamoyl]thiophene-2-carbothioamide has a molecular weight of 350.56 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethylsulfanylcyclopentyl)sulfamoyl]thiophene-2-carbothioamide is sourced from PubChem (CID 106272138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).