5-(aminomethyl)-N-(3-cyclopentylpropyl)-1-ethylpyrrole-3-sulfonamide

C15H27N3O2S — CID 106094516

IUPAC5-(aminomethyl)-N-(3-cyclopentylpropyl)-1-ethylpyrrole-3-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCCCC2CCCC2)cc1CN
InChIInChI=1S/C15H27N3O2S/c1-2-18-12-15(10-14(18)11-16)21(19,20)17-9-5-8-13-6-3-4-7-13/h10,12-13,17H,2-9,11,16H2,1H3
InChIKeyPNJYXPQMEOJLAL-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.22
Rot. Bonds8

About 5-(aminomethyl)-N-(3-cyclopentylpropyl)-1-ethylpyrrole-3-sulfonamide

5-(aminomethyl)-N-(3-cyclopentylpropyl)-1-ethylpyrrole-3-sulfonamide (PubChem CID 106094516) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(3-cyclopentylpropyl)-1-ethylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(3-cyclopentylpropyl)-1-ethylpyrrole-3-sulfonamide
PubChem CID106094516
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name5-(aminomethyl)-N-(3-cyclopentylpropyl)-1-ethylpyrrole-3-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCCCC2CCCC2)cc1CN
InChIInChI=1S/C15H27N3O2S/c1-2-18-12-15(10-14(18)11-16)21(19,20)17-9-5-8-13-6-3-4-7-13/h10,12-13,17H,2-9,11,16H2,1H3
InChIKeyPNJYXPQMEOJLAL-UHFFFAOYSA-N
XLogP2.22
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(aminomethyl)-N-(3-cyclopentylpropyl)-1-ethylpyrrole-3-sulfonamide 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

5-(aminomethyl)-1-ethyl-N-(4,4,4-trifluorobutyl)pyrrole-3-sulfonamide
CID 115522822
5-(aminomethyl)-1-ethyl-N-(3-propoxypropyl)pyrrole-3-sulfonamide
CID 106074138
5-(aminomethyl)-1-ethyl-N-(4-methylsulfanylbutyl)pyrrole-3-sulfonamide
CID 106078027
5-(aminomethyl)-1-ethyl-N-(3-methylbutyl)pyrrole-3-sulfonamide
CID 106059039
5-(aminomethyl)-1-ethyl-N-(5-methylsulfanylpentyl)pyrrole-3-sulfonamide
CID 106093650
5-(aminomethyl)-1-ethyl-N-[3-[methyl(propan-2-yl)amino]propyl]pyrrole-3-sulfonamide
CID 106095082
4-(2-cyclopentylethylsulfamoyl)-1-ethylpyrrole-2-carboxylic acid
CID 60920573
5-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-1-ethylpyrrole-3-sulfonamide
CID 106068913
4-(aminomethyl)-3-chloro-N-(3-cyclopentylpropyl)benzenesulfonamide
CID 106016313
5-(aminomethyl)-1-ethyl-N-(4-methylsulfanylcyclohexyl)pyrrole-3-sulfonamide
CID 106090752
5-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)-1-ethylpyrrole-3-sulfonamide
CID 106083043
5-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-1-ethylpyrrole-3-sulfonamide
CID 106079056

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(3-cyclopentylpropyl)-1-ethylpyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(3-cyclopentylpropyl)-1-ethylpyrrole-3-sulfonamide (CID 106094516) is 5-(aminomethyl)-N-(3-cyclopentylpropyl)-1-ethylpyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(3-cyclopentylpropyl)-1-ethylpyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(3-cyclopentylpropyl)-1-ethylpyrrole-3-sulfonamide is CCn1cc(S(=O)(=O)NCCCC2CCCC2)cc1CN.
What is the InChIKey of 5-(aminomethyl)-N-(3-cyclopentylpropyl)-1-ethylpyrrole-3-sulfonamide?
The InChIKey is PNJYXPQMEOJLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-2-18-12-15(10-14(18)11-16)21(19,20)17-9-5-8-13-6-3-4-7-13/h10,12-13,17H,2-9,11,16H2,1H3.
What are the key properties of 5-(aminomethyl)-N-(3-cyclopentylpropyl)-1-ethylpyrrole-3-sulfonamide?
5-(aminomethyl)-N-(3-cyclopentylpropyl)-1-ethylpyrrole-3-sulfonamide has a molecular weight of 313.47 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(3-cyclopentylpropyl)-1-ethylpyrrole-3-sulfonamide is sourced from PubChem (CID 106094516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).