5-(aminomethyl)-1-cyclopropyl-N-(3-methylcyclopentyl)pyrrole-3-sulfonamide

C14H23N3O2S — CID 114551930

IUPAC5-(aminomethyl)-1-cyclopropyl-N-(3-methylcyclopentyl)pyrrole-3-sulfonamide
SMILESCC1CCC(NS(=O)(=O)c2cc(CN)n(C3CC3)c2)C1
InChIInChI=1S/C14H23N3O2S/c1-10-2-3-11(6-10)16-20(18,19)14-7-13(8-15)17(9-14)12-4-5-12/h7,9-12,16H,2-6,8,15H2,1H3
InChIKeyHEKDUTSLEFBMAR-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.75
Rot. Bonds5

About 5-(aminomethyl)-1-cyclopropyl-N-(3-methylcyclopentyl)pyrrole-3-sulfonamide

5-(aminomethyl)-1-cyclopropyl-N-(3-methylcyclopentyl)pyrrole-3-sulfonamide (PubChem CID 114551930) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 5-(aminomethyl)-1-cyclopropyl-N-(3-methylcyclopentyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-1-cyclopropyl-N-(3-methylcyclopentyl)pyrrole-3-sulfonamide
PubChem CID114551930
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name5-(aminomethyl)-1-cyclopropyl-N-(3-methylcyclopentyl)pyrrole-3-sulfonamide
SMILESCC1CCC(NS(=O)(=O)c2cc(CN)n(C3CC3)c2)C1
InChIInChI=1S/C14H23N3O2S/c1-10-2-3-11(6-10)16-20(18,19)14-7-13(8-15)17(9-14)12-4-5-12/h7,9-12,16H,2-6,8,15H2,1H3
InChIKeyHEKDUTSLEFBMAR-UHFFFAOYSA-N
XLogP1.75
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-1-cyclopropyl-N-(2-methyloxolan-3-yl)pyrrole-3-sulfonamide
CID 106076278
5-(aminomethyl)-N-(cyclobutylmethyl)-1-cyclopropylpyrrole-3-sulfonamide
CID 106024800
1-methyl-N-(3-methylcyclopentyl)-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 114551865
5-(aminomethyl)-1-cyclopropyl-N-[4-(dimethylamino)butan-2-yl]pyrrole-3-sulfonamide
CID 106054923
5-(aminomethyl)-N-(4-chlorophenyl)-1-cyclopropylpyrrole-3-sulfonamide
CID 106060831
4-(aminomethyl)-3-chloro-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545500
5-(aminomethyl)-1-ethyl-N-(3-ethylsulfanylcyclopentyl)pyrrole-3-sulfonamide
CID 106091498
1-methyl-5-(methylaminomethyl)-N-(3-methylcyclohexyl)pyrrole-3-sulfonamide
CID 106027525
5-(aminomethyl)-1-methyl-N-(oxolan-3-yl)pyrrole-3-sulfonamide
CID 106072305
5-(aminomethyl)-1-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)pyrrole-3-sulfonamide
CID 81173672
5-(aminomethyl)-1-cyclopropyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrrole-3-sulfonamide
CID 106051402
4-(3-aminopropyl)-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114552052

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-cyclopropyl-N-(3-methylcyclopentyl)pyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-1-cyclopropyl-N-(3-methylcyclopentyl)pyrrole-3-sulfonamide (CID 114551930) is 5-(aminomethyl)-1-cyclopropyl-N-(3-methylcyclopentyl)pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-1-cyclopropyl-N-(3-methylcyclopentyl)pyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-1-cyclopropyl-N-(3-methylcyclopentyl)pyrrole-3-sulfonamide is CC1CCC(NS(=O)(=O)c2cc(CN)n(C3CC3)c2)C1.
What is the InChIKey of 5-(aminomethyl)-1-cyclopropyl-N-(3-methylcyclopentyl)pyrrole-3-sulfonamide?
The InChIKey is HEKDUTSLEFBMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-10-2-3-11(6-10)16-20(18,19)14-7-13(8-15)17(9-14)12-4-5-12/h7,9-12,16H,2-6,8,15H2,1H3.
What are the key properties of 5-(aminomethyl)-1-cyclopropyl-N-(3-methylcyclopentyl)pyrrole-3-sulfonamide?
5-(aminomethyl)-1-cyclopropyl-N-(3-methylcyclopentyl)pyrrole-3-sulfonamide has a molecular weight of 297.42 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-cyclopropyl-N-(3-methylcyclopentyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 114551930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).