1-methyl-N-(3-methylsulfonylpropyl)-4-sulfamoylpyrrole-2-carboxamide

C10H17N3O5S2 — CID 61149529

IUPAC1-methyl-N-(3-methylsulfonylpropyl)-4-sulfamoylpyrrole-2-carboxamide
SMILESCn1cc(S(N)(=O)=O)cc1C(=O)NCCCS(C)(=O)=O
InChIInChI=1S/C10H17N3O5S2/c1-13-7-8(20(11,17)18)6-9(13)10(14)12-4-3-5-19(2,15)16/h6-7H,3-5H2,1-2H3,(H,12,14)(H2,11,17,18)
InChIKeyGYEBTOOPNBKGCY-UHFFFAOYSA-N
MW323.40 g/mol
LogP-1.16
Rot. Bonds6

About 1-methyl-N-(3-methylsulfonylpropyl)-4-sulfamoylpyrrole-2-carboxamide

1-methyl-N-(3-methylsulfonylpropyl)-4-sulfamoylpyrrole-2-carboxamide (PubChem CID 61149529) has the molecular formula C10H17N3O5S2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-methyl-N-(3-methylsulfonylpropyl)-4-sulfamoylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(3-methylsulfonylpropyl)-4-sulfamoylpyrrole-2-carboxamide
PubChem CID61149529
Molecular FormulaC10H17N3O5S2
Molecular Weight323.40 g/mol
Exact Mass323.06
IUPAC Name1-methyl-N-(3-methylsulfonylpropyl)-4-sulfamoylpyrrole-2-carboxamide
SMILESCn1cc(S(N)(=O)=O)cc1C(=O)NCCCS(C)(=O)=O
InChIInChI=1S/C10H17N3O5S2/c1-13-7-8(20(11,17)18)6-9(13)10(14)12-4-3-5-19(2,15)16/h6-7H,3-5H2,1-2H3,(H,12,14)(H2,11,17,18)
InChIKeyGYEBTOOPNBKGCY-UHFFFAOYSA-N
XLogP-1.16
TPSA128.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-methyl-N-(3-methylsulfonylpropyl)-4-sulfamoylpyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-5-(3-methylsulfonylpropylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 65367473
4-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid
CID 16780234
N-(2-ethoxyethyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 60977535
N-(2,2-dimethylpropyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 61381311
N-[(2R)-2-hydroxypropyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 83032455
N-[2-(1H-imidazol-5-yl)ethyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 65231546
1-methyl-5-(pentylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 65366972
3-methyl-3-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid
CID 64670920
N-(4-methoxy-2,2-dimethylbutyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 104625478
3-methoxy-4-[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]butanoic acid
CID 103153124
1-[[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445226
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 103711873

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3-methylsulfonylpropyl)-4-sulfamoylpyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-(3-methylsulfonylpropyl)-4-sulfamoylpyrrole-2-carboxamide (CID 61149529) is 1-methyl-N-(3-methylsulfonylpropyl)-4-sulfamoylpyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-(3-methylsulfonylpropyl)-4-sulfamoylpyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-(3-methylsulfonylpropyl)-4-sulfamoylpyrrole-2-carboxamide is Cn1cc(S(N)(=O)=O)cc1C(=O)NCCCS(C)(=O)=O.
What is the InChIKey of 1-methyl-N-(3-methylsulfonylpropyl)-4-sulfamoylpyrrole-2-carboxamide?
The InChIKey is GYEBTOOPNBKGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O5S2/c1-13-7-8(20(11,17)18)6-9(13)10(14)12-4-3-5-19(2,15)16/h6-7H,3-5H2,1-2H3,(H,12,14)(H2,11,17,18).
What are the key properties of 1-methyl-N-(3-methylsulfonylpropyl)-4-sulfamoylpyrrole-2-carboxamide?
1-methyl-N-(3-methylsulfonylpropyl)-4-sulfamoylpyrrole-2-carboxamide has a molecular weight of 323.40 g/mol, XLogP of -1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3-methylsulfonylpropyl)-4-sulfamoylpyrrole-2-carboxamide is sourced from PubChem (CID 61149529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).