5-(3-pyrrolidin-1-ylpropylsulfamoyl)thiophene-2-carbothioamide

C12H19N3O2S3 — CID 106271155

IUPAC5-(3-pyrrolidin-1-ylpropylsulfamoyl)thiophene-2-carbothioamide
SMILESNC(=S)c1ccc(S(=O)(=O)NCCCN2CCCC2)s1
InChIInChI=1S/C12H19N3O2S3/c13-12(18)10-4-5-11(19-10)20(16,17)14-6-3-9-15-7-1-2-8-15/h4-5,14H,1-3,6-9H2,(H2,13,18)
InChIKeyHEZUIETURLUEEH-UHFFFAOYSA-N
MW333.50 g/mol
LogP1.15
Rot. Bonds7

About 5-(3-pyrrolidin-1-ylpropylsulfamoyl)thiophene-2-carbothioamide

5-(3-pyrrolidin-1-ylpropylsulfamoyl)thiophene-2-carbothioamide (PubChem CID 106271155) has the molecular formula C12H19N3O2S3 and a molecular weight of 333.50 g/mol. Its IUPAC name is 5-(3-pyrrolidin-1-ylpropylsulfamoyl)thiophene-2-carbothioamide.

Molecular Properties

Compound Name5-(3-pyrrolidin-1-ylpropylsulfamoyl)thiophene-2-carbothioamide
PubChem CID106271155
Molecular FormulaC12H19N3O2S3
Molecular Weight333.50 g/mol
Exact Mass333.06
IUPAC Name5-(3-pyrrolidin-1-ylpropylsulfamoyl)thiophene-2-carbothioamide
SMILESNC(=S)c1ccc(S(=O)(=O)NCCCN2CCCC2)s1
InChIInChI=1S/C12H19N3O2S3/c13-12(18)10-4-5-11(19-10)20(16,17)14-6-3-9-15-7-1-2-8-15/h4-5,14H,1-3,6-9H2,(H2,13,18)
InChIKeyHEZUIETURLUEEH-UHFFFAOYSA-N
XLogP1.15
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(5-carbamothioylthiophen-2-yl)sulfonylamino]pentanamide
CID 106272188
5-[4-[methyl(propan-2-yl)amino]butylsulfamoyl]thiophene-2-carbothioamide
CID 106270991
ethyl 4-[(5-carbamothioylthiophen-2-yl)sulfonylamino]butanoate
CID 106271350
5-(2-imidazol-1-ylethylsulfamoyl)thiophene-2-carbothioamide
CID 106270612
methyl 3-[(5-carbamothioylthiophen-2-yl)sulfonylamino]propanoate
CID 114166602
5-[(1-ethylpiperidin-4-yl)methylsulfamoyl]thiophene-2-carbothioamide
CID 106270897
2-[2-[(5-carbamothioylthiophen-2-yl)sulfonylamino]ethoxy]acetamide
CID 106272189
5-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]sulfonyl]thiophene-2-carbothioamide
CID 106272011
3-[(5-carbamothioylthiophen-2-yl)sulfonylamino]-N-cyclopropylpropanamide
CID 106271482
ethyl 3-[(5-carbamothioylthiophen-2-yl)sulfonylamino]propanoate
CID 106270997
5-[(2-methyl-2-methylsulfanylpropyl)sulfamoyl]thiophene-2-carbothioamide
CID 114166719
5-[(1-propylcyclopropyl)methylsulfamoyl]thiophene-2-carbothioamide
CID 106272096

Frequently Asked Questions

What is the IUPAC name of 5-(3-pyrrolidin-1-ylpropylsulfamoyl)thiophene-2-carbothioamide?
The IUPAC name of 5-(3-pyrrolidin-1-ylpropylsulfamoyl)thiophene-2-carbothioamide (CID 106271155) is 5-(3-pyrrolidin-1-ylpropylsulfamoyl)thiophene-2-carbothioamide.
What is the SMILES notation for 5-(3-pyrrolidin-1-ylpropylsulfamoyl)thiophene-2-carbothioamide?
The canonical SMILES for 5-(3-pyrrolidin-1-ylpropylsulfamoyl)thiophene-2-carbothioamide is NC(=S)c1ccc(S(=O)(=O)NCCCN2CCCC2)s1.
What is the InChIKey of 5-(3-pyrrolidin-1-ylpropylsulfamoyl)thiophene-2-carbothioamide?
The InChIKey is HEZUIETURLUEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S3/c13-12(18)10-4-5-11(19-10)20(16,17)14-6-3-9-15-7-1-2-8-15/h4-5,14H,1-3,6-9H2,(H2,13,18).
What are the key properties of 5-(3-pyrrolidin-1-ylpropylsulfamoyl)thiophene-2-carbothioamide?
5-(3-pyrrolidin-1-ylpropylsulfamoyl)thiophene-2-carbothioamide has a molecular weight of 333.50 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-pyrrolidin-1-ylpropylsulfamoyl)thiophene-2-carbothioamide is sourced from PubChem (CID 106271155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).