5-(aminomethyl)-N-(2-methylcyclopentyl)-1H-pyrrole-3-sulfonamide

C11H19N3O2S — CID 114141354

IUPAC5-(aminomethyl)-N-(2-methylcyclopentyl)-1H-pyrrole-3-sulfonamide
SMILESCC1CCCC1NS(=O)(=O)c1c[nH]c(CN)c1
InChIInChI=1S/C11H19N3O2S/c1-8-3-2-4-11(8)14-17(15,16)10-5-9(6-12)13-7-10/h5,7-8,11,13-14H,2-4,6,12H2,1H3
InChIKeyHBUWHYBWSSEGRT-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.94
Rot. Bonds4

About 5-(aminomethyl)-N-(2-methylcyclopentyl)-1H-pyrrole-3-sulfonamide

5-(aminomethyl)-N-(2-methylcyclopentyl)-1H-pyrrole-3-sulfonamide (PubChem CID 114141354) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-methylcyclopentyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-methylcyclopentyl)-1H-pyrrole-3-sulfonamide
PubChem CID114141354
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name5-(aminomethyl)-N-(2-methylcyclopentyl)-1H-pyrrole-3-sulfonamide
SMILESCC1CCCC1NS(=O)(=O)c1c[nH]c(CN)c1
InChIInChI=1S/C11H19N3O2S/c1-8-3-2-4-11(8)14-17(15,16)10-5-9(6-12)13-7-10/h5,7-8,11,13-14H,2-4,6,12H2,1H3
InChIKeyHBUWHYBWSSEGRT-UHFFFAOYSA-N
XLogP0.94
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-1H-pyrrole-3-sulfonamide
CID 114141650
5-(aminomethyl)-N-(oxan-4-yl)-1H-pyrrole-3-sulfonamide
CID 114135299
5-(aminomethyl)-N-(3,3-dimethylcyclohexyl)-1H-pyrrole-3-sulfonamide
CID 106073012
5-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-1H-pyrrole-3-sulfonamide
CID 106074079
3-(aminomethyl)-4-ethoxy-N-(2-methylcyclopentyl)benzenesulfonamide
CID 106064265
5-[(cyclopropylamino)methyl]-N-(2-methylcyclopentyl)thiophene-3-sulfonamide
CID 106064269
5-(aminomethyl)-N-(4-bromo-2,6-difluorophenyl)-1H-pyrrole-3-sulfonamide
CID 106066663
2-(aminomethyl)-5-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 106064241
4-fluoro-N-[(1S,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 801295
3-amino-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 63277688
5-(aminomethyl)-N-(3-ethylpentan-2-yl)-1H-pyrrole-3-sulfonamide
CID 114141293
3-bromo-4-chloro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 106612264

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-methylcyclopentyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2-methylcyclopentyl)-1H-pyrrole-3-sulfonamide (CID 114141354) is 5-(aminomethyl)-N-(2-methylcyclopentyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2-methylcyclopentyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2-methylcyclopentyl)-1H-pyrrole-3-sulfonamide is CC1CCCC1NS(=O)(=O)c1c[nH]c(CN)c1.
What is the InChIKey of 5-(aminomethyl)-N-(2-methylcyclopentyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is HBUWHYBWSSEGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-8-3-2-4-11(8)14-17(15,16)10-5-9(6-12)13-7-10/h5,7-8,11,13-14H,2-4,6,12H2,1H3.
What are the key properties of 5-(aminomethyl)-N-(2-methylcyclopentyl)-1H-pyrrole-3-sulfonamide?
5-(aminomethyl)-N-(2-methylcyclopentyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 257.36 g/mol, XLogP of 0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2-methylcyclopentyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 114141354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).