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

C13H23N3O2S — CID 106070972

IUPAC5-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-1-methylpyrrole-3-sulfonamide
SMILESCn1cc(S(=O)(=O)NC2CCCC2(C)C)cc1CN
InChIInChI=1S/C13H23N3O2S/c1-13(2)6-4-5-12(13)15-19(17,18)11-7-10(8-14)16(3)9-11/h7,9,12,15H,4-6,8,14H2,1-3H3
InChIKeyFOEUTIKGPAWLGN-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.34
Rot. Bonds4

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

5-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-1-methylpyrrole-3-sulfonamide (PubChem CID 106070972) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-1-methylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-1-methylpyrrole-3-sulfonamide
PubChem CID106070972
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name5-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-1-methylpyrrole-3-sulfonamide
SMILESCn1cc(S(=O)(=O)NC2CCCC2(C)C)cc1CN
InChIInChI=1S/C13H23N3O2S/c1-13(2)6-4-5-12(13)15-19(17,18)11-7-10(8-14)16(3)9-11/h7,9,12,15H,4-6,8,14H2,1-3H3
InChIKeyFOEUTIKGPAWLGN-UHFFFAOYSA-N
XLogP1.34
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-1H-pyrrole-3-sulfonamide
CID 114141650
5-(aminomethyl)-1-methyl-N-(oxolan-3-yl)pyrrole-3-sulfonamide
CID 106072305
5-(aminomethyl)-N-(1-ethylcyclobutyl)-1-methylpyrrole-3-sulfonamide
CID 113489226
5-(aminomethyl)-N-(2,2-dimethylcyclohexyl)thiophene-3-sulfonamide
CID 106071365
5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanyl)-1-methylpyrrole-3-sulfonamide
CID 106067674
5-(aminomethyl)-N-(1-cyclopropylethyl)-1-methylpyrrole-3-sulfonamide
CID 114134359
5-(aminomethyl)-N-(4,4-dimethylcyclohexyl)-1-ethylpyrrole-3-sulfonamide
CID 106068913
2-(aminomethyl)-N-(2,2-dimethylcyclopentyl)thiophene-3-sulfonamide
CID 106071021
5-(aminomethyl)-1-methyl-N-(2,4,6-tribromophenyl)pyrrole-3-sulfonamide
CID 106002438
4-amino-2,6-dichloro-N-(2,2-dimethylcyclopentyl)benzenesulfonamide
CID 79861863
3-amino-N-(2,2-dimethylcyclopentyl)-1-ethylpyrazole-4-sulfonamide
CID 79861218
5-(aminomethyl)-N-(2-fluoro-6-methylphenyl)-1-methylpyrrole-3-sulfonamide
CID 106083691

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-1-methylpyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-1-methylpyrrole-3-sulfonamide (CID 106070972) is 5-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-1-methylpyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-1-methylpyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-1-methylpyrrole-3-sulfonamide is Cn1cc(S(=O)(=O)NC2CCCC2(C)C)cc1CN.
What is the InChIKey of 5-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-1-methylpyrrole-3-sulfonamide?
The InChIKey is FOEUTIKGPAWLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-13(2)6-4-5-12(13)15-19(17,18)11-7-10(8-14)16(3)9-11/h7,9,12,15H,4-6,8,14H2,1-3H3.
What are the key properties of 5-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-1-methylpyrrole-3-sulfonamide?
5-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-1-methylpyrrole-3-sulfonamide has a molecular weight of 285.41 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-1-methylpyrrole-3-sulfonamide is sourced from PubChem (CID 106070972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).