5-[(5-carbamothioylthiophen-2-yl)sulfonylamino]pentanamide

C10H15N3O3S3 — CID 106272188

IUPAC5-[(5-carbamothioylthiophen-2-yl)sulfonylamino]pentanamide
SMILESNC(=O)CCCCNS(=O)(=O)c1ccc(C(N)=S)s1
InChIInChI=1S/C10H15N3O3S3/c11-8(14)3-1-2-6-13-19(15,16)9-5-4-7(18-9)10(12)17/h4-5,13H,1-3,6H2,(H2,11,14)(H2,12,17)
InChIKeyTVFLBAHBYQRGDI-UHFFFAOYSA-N
MW321.45 g/mol
LogP0.32
Rot. Bonds8

About 5-[(5-carbamothioylthiophen-2-yl)sulfonylamino]pentanamide

5-[(5-carbamothioylthiophen-2-yl)sulfonylamino]pentanamide (PubChem CID 106272188) has the molecular formula C10H15N3O3S3 and a molecular weight of 321.45 g/mol. Its IUPAC name is 5-[(5-carbamothioylthiophen-2-yl)sulfonylamino]pentanamide.

Molecular Properties

Compound Name5-[(5-carbamothioylthiophen-2-yl)sulfonylamino]pentanamide
PubChem CID106272188
Molecular FormulaC10H15N3O3S3
Molecular Weight321.45 g/mol
Exact Mass321.03
IUPAC Name5-[(5-carbamothioylthiophen-2-yl)sulfonylamino]pentanamide
SMILESNC(=O)CCCCNS(=O)(=O)c1ccc(C(N)=S)s1
InChIInChI=1S/C10H15N3O3S3/c11-8(14)3-1-2-6-13-19(15,16)9-5-4-7(18-9)10(12)17/h4-5,13H,1-3,6H2,(H2,11,14)(H2,12,17)
InChIKeyTVFLBAHBYQRGDI-UHFFFAOYSA-N
XLogP0.32
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 50.32
H-Bond Donors ≤ 53
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

ethyl 4-[(5-carbamothioylthiophen-2-yl)sulfonylamino]butanoate
CID 106271350
methyl 3-[(5-carbamothioylthiophen-2-yl)sulfonylamino]propanoate
CID 114166602
2-[2-[(5-carbamothioylthiophen-2-yl)sulfonylamino]ethoxy]acetamide
CID 106272189
5-[4-[methyl(propan-2-yl)amino]butylsulfamoyl]thiophene-2-carbothioamide
CID 106270991
ethyl 3-[(5-carbamothioylthiophen-2-yl)sulfonylamino]propanoate
CID 106270997
5-(3-pyrrolidin-1-ylpropylsulfamoyl)thiophene-2-carbothioamide
CID 106271155
3-[(5-carbamothioylthiophen-2-yl)sulfonylamino]-N-cyclopropylpropanamide
CID 106271482
5-[(4-carbamothioylphenyl)sulfonylamino]pentanamide
CID 106237168
5-(2-imidazol-1-ylethylsulfamoyl)thiophene-2-carbothioamide
CID 106270612
5-[(2-fluorophenyl)methylsulfamoyl]thiophene-2-carbothioamide
CID 106270100
5-(thiophen-2-ylmethylsulfamoyl)thiophene-2-carbothioamide
CID 106270297
5-[(2-methyl-2-methylsulfanylpropyl)sulfamoyl]thiophene-2-carbothioamide
CID 114166719

Frequently Asked Questions

What is the IUPAC name of 5-[(5-carbamothioylthiophen-2-yl)sulfonylamino]pentanamide?
The IUPAC name of 5-[(5-carbamothioylthiophen-2-yl)sulfonylamino]pentanamide (CID 106272188) is 5-[(5-carbamothioylthiophen-2-yl)sulfonylamino]pentanamide.
What is the SMILES notation for 5-[(5-carbamothioylthiophen-2-yl)sulfonylamino]pentanamide?
The canonical SMILES for 5-[(5-carbamothioylthiophen-2-yl)sulfonylamino]pentanamide is NC(=O)CCCCNS(=O)(=O)c1ccc(C(N)=S)s1.
What is the InChIKey of 5-[(5-carbamothioylthiophen-2-yl)sulfonylamino]pentanamide?
The InChIKey is TVFLBAHBYQRGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S3/c11-8(14)3-1-2-6-13-19(15,16)9-5-4-7(18-9)10(12)17/h4-5,13H,1-3,6H2,(H2,11,14)(H2,12,17).
What are the key properties of 5-[(5-carbamothioylthiophen-2-yl)sulfonylamino]pentanamide?
5-[(5-carbamothioylthiophen-2-yl)sulfonylamino]pentanamide has a molecular weight of 321.45 g/mol, XLogP of 0.32, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-carbamothioylthiophen-2-yl)sulfonylamino]pentanamide is sourced from PubChem (CID 106272188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).