5-methyl-N-(3-sulfamoylpropyl)thiophene-2-sulfonamide

C8H14N2O4S3 — CID 61132568

IUPAC5-methyl-N-(3-sulfamoylpropyl)thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCS(N)(=O)=O)s1
InChIInChI=1S/C8H14N2O4S3/c1-7-3-4-8(15-7)17(13,14)10-5-2-6-16(9,11)12/h3-4,10H,2,5-6H2,1H3,(H2,9,11,12)
InChIKeyIBQGEXFIKLHHAB-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.01
Rot. Bonds6

About 5-methyl-N-(3-sulfamoylpropyl)thiophene-2-sulfonamide

5-methyl-N-(3-sulfamoylpropyl)thiophene-2-sulfonamide (PubChem CID 61132568) has the molecular formula C8H14N2O4S3 and a molecular weight of 298.41 g/mol. Its IUPAC name is 5-methyl-N-(3-sulfamoylpropyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-(3-sulfamoylpropyl)thiophene-2-sulfonamide
PubChem CID61132568
Molecular FormulaC8H14N2O4S3
Molecular Weight298.41 g/mol
Exact Mass298.01
IUPAC Name5-methyl-N-(3-sulfamoylpropyl)thiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCS(N)(=O)=O)s1
InChIInChI=1S/C8H14N2O4S3/c1-7-3-4-8(15-7)17(13,14)10-5-2-6-16(9,11)12/h3-4,10H,2,5-6H2,1H3,(H2,9,11,12)
InChIKeyIBQGEXFIKLHHAB-UHFFFAOYSA-N
XLogP0.01
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-N-pentylthiophene-2-sulfonamide
CID 39791909
N-ethyl-5-methylthiophene-2-sulfonamide
CID 43212959
N-[3-(2-bromoethoxy)propyl]-5-methylthiophene-2-sulfonamide
CID 106304861
N-(2-aminopropyl)-5-methylthiophene-2-sulfonamide
CID 63732116
5-methyl-N-[3-(pyridin-3-ylmethylamino)propyl]thiophene-2-sulfonamide
CID 43605840
5-methyl-N-[2-(methylamino)propyl]thiophene-2-sulfonamide
CID 120825500
5-methyl-N-(3-sulfamoylpropyl)thiophene-2-carboxamide
CID 47337072
N-[(2-hydroxyphenyl)methyl]-5-methylthiophene-2-sulfonamide
CID 113317180
N-(2-aminobutyl)-5-methylthiophene-2-sulfonamide
CID 63733262
5-methyl-N-(2-phenoxyethyl)thiophene-2-sulfonamide
CID 30867028
2-methyl-4-[(5-methylthiophen-2-yl)sulfonylamino]butanoic acid
CID 80540211
5-methyl-N-[3-(4-phenylpiperazin-1-yl)propyl]thiophene-2-sulfonamide
CID 42389179

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(3-sulfamoylpropyl)thiophene-2-sulfonamide?
The IUPAC name of 5-methyl-N-(3-sulfamoylpropyl)thiophene-2-sulfonamide (CID 61132568) is 5-methyl-N-(3-sulfamoylpropyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-methyl-N-(3-sulfamoylpropyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-methyl-N-(3-sulfamoylpropyl)thiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCCCS(N)(=O)=O)s1.
What is the InChIKey of 5-methyl-N-(3-sulfamoylpropyl)thiophene-2-sulfonamide?
The InChIKey is IBQGEXFIKLHHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4S3/c1-7-3-4-8(15-7)17(13,14)10-5-2-6-16(9,11)12/h3-4,10H,2,5-6H2,1H3,(H2,9,11,12).
What are the key properties of 5-methyl-N-(3-sulfamoylpropyl)thiophene-2-sulfonamide?
5-methyl-N-(3-sulfamoylpropyl)thiophene-2-sulfonamide has a molecular weight of 298.41 g/mol, XLogP of 0.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(3-sulfamoylpropyl)thiophene-2-sulfonamide is sourced from PubChem (CID 61132568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).