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

C12H21N3O2S — CID 114141650

IUPAC5-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-1H-pyrrole-3-sulfonamide
SMILESCC1(C)CCCC1NS(=O)(=O)c1c[nH]c(CN)c1
InChIInChI=1S/C12H21N3O2S/c1-12(2)5-3-4-11(12)15-18(16,17)10-6-9(7-13)14-8-10/h6,8,11,14-15H,3-5,7,13H2,1-2H3
InChIKeyMNAKDMJJWIJCFE-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.33
Rot. Bonds4

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

5-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-1H-pyrrole-3-sulfonamide (PubChem CID 114141650) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-1H-pyrrole-3-sulfonamide
PubChem CID114141650
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name5-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-1H-pyrrole-3-sulfonamide
SMILESCC1(C)CCCC1NS(=O)(=O)c1c[nH]c(CN)c1
InChIInChI=1S/C12H21N3O2S/c1-12(2)5-3-4-11(12)15-18(16,17)10-6-9(7-13)14-8-10/h6,8,11,14-15H,3-5,7,13H2,1-2H3
InChIKeyMNAKDMJJWIJCFE-UHFFFAOYSA-N
XLogP1.33
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-dimethylcyclopentyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106071089
5-(aminomethyl)-N-(3,3-dimethylcyclohexyl)-1H-pyrrole-3-sulfonamide
CID 106073012
5-(aminomethyl)-N-(2,2-dimethylcyclohexyl)thiophene-3-sulfonamide
CID 106071365
5-(aminomethyl)-N-(2-methylcyclopentyl)-1H-pyrrole-3-sulfonamide
CID 114141354
5-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-1-methylpyrrole-3-sulfonamide
CID 106070972
5-(aminomethyl)-N-(oxan-4-yl)-1H-pyrrole-3-sulfonamide
CID 114135299
5-(aminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrrole-3-sulfonamide
CID 79356914
2-(aminomethyl)-N-(2,2-dimethylcyclopentyl)thiophene-3-sulfonamide
CID 106071021
5-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-1H-pyrrole-3-sulfonamide
CID 106074079
5-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]-1H-pyrrole-3-sulfonamide
CID 114102370
5-(aminomethyl)-N-(4-bromo-2,6-difluorophenyl)-1H-pyrrole-3-sulfonamide
CID 106066663
4-amino-2,6-dichloro-N-(2,2-dimethylcyclopentyl)benzenesulfonamide
CID 79861863

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-1H-pyrrole-3-sulfonamide (CID 114141650) is 5-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-1H-pyrrole-3-sulfonamide is CC1(C)CCCC1NS(=O)(=O)c1c[nH]c(CN)c1.
What is the InChIKey of 5-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is MNAKDMJJWIJCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-12(2)5-3-4-11(12)15-18(16,17)10-6-9(7-13)14-8-10/h6,8,11,14-15H,3-5,7,13H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-1H-pyrrole-3-sulfonamide?
5-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 271.39 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 114141650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).