5-[(2-methyl-2-methylsulfanylpropyl)sulfamoyl]thiophene-2-carbothioamide

C10H16N2O2S4 — CID 114166719

IUPAC5-[(2-methyl-2-methylsulfanylpropyl)sulfamoyl]thiophene-2-carbothioamide
SMILESCSC(C)(C)CNS(=O)(=O)c1ccc(C(N)=S)s1
InChIInChI=1S/C10H16N2O2S4/c1-10(2,16-3)6-12-18(13,14)8-5-4-7(17-8)9(11)15/h4-5,12H,6H2,1-3H3,(H2,11,15)
InChIKeyNKNMMJZSBPVACU-UHFFFAOYSA-N
MW324.52 g/mol
LogP1.80
Rot. Bonds6

About 5-[(2-methyl-2-methylsulfanylpropyl)sulfamoyl]thiophene-2-carbothioamide

5-[(2-methyl-2-methylsulfanylpropyl)sulfamoyl]thiophene-2-carbothioamide (PubChem CID 114166719) has the molecular formula C10H16N2O2S4 and a molecular weight of 324.52 g/mol. Its IUPAC name is 5-[(2-methyl-2-methylsulfanylpropyl)sulfamoyl]thiophene-2-carbothioamide.

Molecular Properties

Compound Name5-[(2-methyl-2-methylsulfanylpropyl)sulfamoyl]thiophene-2-carbothioamide
PubChem CID114166719
Molecular FormulaC10H16N2O2S4
Molecular Weight324.52 g/mol
Exact Mass324.01
IUPAC Name5-[(2-methyl-2-methylsulfanylpropyl)sulfamoyl]thiophene-2-carbothioamide
SMILESCSC(C)(C)CNS(=O)(=O)c1ccc(C(N)=S)s1
InChIInChI=1S/C10H16N2O2S4/c1-10(2,16-3)6-12-18(13,14)8-5-4-7(17-8)9(11)15/h4-5,12H,6H2,1-3H3,(H2,11,15)
InChIKeyNKNMMJZSBPVACU-UHFFFAOYSA-N
XLogP1.80
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.52
LogP ≤ 51.80
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

ethyl 3-[(5-carbamothioylthiophen-2-yl)sulfonylamino]propanoate
CID 106270997
methyl 3-[(5-carbamothioylthiophen-2-yl)sulfonylamino]propanoate
CID 114166602
5-[(5-carbamothioylthiophen-2-yl)sulfonylamino]pentanamide
CID 106272188
5-(1-methylsulfanylbutan-2-ylsulfamoyl)thiophene-2-carbothioamide
CID 106271839
ethyl 4-[(5-carbamothioylthiophen-2-yl)sulfonylamino]butanoate
CID 106271350
5-[(1-propylcyclopropyl)methylsulfamoyl]thiophene-2-carbothioamide
CID 106272096
5-(3-pyrrolidin-1-ylpropylsulfamoyl)thiophene-2-carbothioamide
CID 106271155
5-[(2-fluorophenyl)methylsulfamoyl]thiophene-2-carbothioamide
CID 106270100
5-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carbothioamide
CID 106270297
5-[(1-ethylpiperidin-4-yl)methylsulfamoyl]thiophene-2-carbothioamide
CID 106270897
N-(2-methyl-2-methylsulfanylpropyl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide
CID 106080923
5-[(3-methylcyclopentyl)methylsulfamoyl]thiophene-2-carbothioamide
CID 106272019

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-2-methylsulfanylpropyl)sulfamoyl]thiophene-2-carbothioamide?
The IUPAC name of 5-[(2-methyl-2-methylsulfanylpropyl)sulfamoyl]thiophene-2-carbothioamide (CID 114166719) is 5-[(2-methyl-2-methylsulfanylpropyl)sulfamoyl]thiophene-2-carbothioamide.
What is the SMILES notation for 5-[(2-methyl-2-methylsulfanylpropyl)sulfamoyl]thiophene-2-carbothioamide?
The canonical SMILES for 5-[(2-methyl-2-methylsulfanylpropyl)sulfamoyl]thiophene-2-carbothioamide is CSC(C)(C)CNS(=O)(=O)c1ccc(C(N)=S)s1.
What is the InChIKey of 5-[(2-methyl-2-methylsulfanylpropyl)sulfamoyl]thiophene-2-carbothioamide?
The InChIKey is NKNMMJZSBPVACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S4/c1-10(2,16-3)6-12-18(13,14)8-5-4-7(17-8)9(11)15/h4-5,12H,6H2,1-3H3,(H2,11,15).
What are the key properties of 5-[(2-methyl-2-methylsulfanylpropyl)sulfamoyl]thiophene-2-carbothioamide?
5-[(2-methyl-2-methylsulfanylpropyl)sulfamoyl]thiophene-2-carbothioamide has a molecular weight of 324.52 g/mol, XLogP of 1.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-2-methylsulfanylpropyl)sulfamoyl]thiophene-2-carbothioamide is sourced from PubChem (CID 114166719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).