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

C13H23N3O2S — CID 106073012

IUPAC5-(aminomethyl)-N-(3,3-dimethylcyclohexyl)-1H-pyrrole-3-sulfonamide
SMILESCC1(C)CCCC(NS(=O)(=O)c2c[nH]c(CN)c2)C1
InChIInChI=1S/C13H23N3O2S/c1-13(2)5-3-4-10(7-13)16-19(17,18)12-6-11(8-14)15-9-12/h6,9-10,15-16H,3-5,7-8,14H2,1-2H3
InChIKeyLJBASWJOYCANGU-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.72
Rot. Bonds4

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

5-(aminomethyl)-N-(3,3-dimethylcyclohexyl)-1H-pyrrole-3-sulfonamide (PubChem CID 106073012) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(3,3-dimethylcyclohexyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(3,3-dimethylcyclohexyl)-1H-pyrrole-3-sulfonamide
PubChem CID106073012
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name5-(aminomethyl)-N-(3,3-dimethylcyclohexyl)-1H-pyrrole-3-sulfonamide
SMILESCC1(C)CCCC(NS(=O)(=O)c2c[nH]c(CN)c2)C1
InChIInChI=1S/C13H23N3O2S/c1-13(2)5-3-4-10(7-13)16-19(17,18)12-6-11(8-14)15-9-12/h6,9-10,15-16H,3-5,7-8,14H2,1-2H3
InChIKeyLJBASWJOYCANGU-UHFFFAOYSA-N
XLogP1.72
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.72
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
4-(aminomethyl)-N-(3,3-dimethylcyclohexyl)-3-methylbenzenesulfonamide
CID 106919518
5-(aminomethyl)-N-(2-methylcyclopentyl)-1H-pyrrole-3-sulfonamide
CID 114141354
5-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-1H-pyrrole-3-sulfonamide
CID 106074079
5-(aminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrrole-3-sulfonamide
CID 79356914
N-(3,3-dimethylcyclohexyl)-2-methyl-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106072978
3-(aminomethyl)-4-chloro-N-(3,3-dimethylcyclopentyl)benzenesulfonamide
CID 114552139
N-(2,2-dimethylcyclopentyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106071089
N-(3,3-dimethylcyclopentyl)-3,5-dimethylbenzenesulfonamide
CID 114545447
5-(aminomethyl)-N-[(1-propylcyclopropyl)methyl]-1H-pyrrole-3-sulfonamide
CID 114102370
5-[(cyclopropylamino)methyl]-N-(3,3-dimethylcyclopentyl)thiophene-3-sulfonamide
CID 114552184

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(3,3-dimethylcyclohexyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(3,3-dimethylcyclohexyl)-1H-pyrrole-3-sulfonamide (CID 106073012) is 5-(aminomethyl)-N-(3,3-dimethylcyclohexyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(3,3-dimethylcyclohexyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(3,3-dimethylcyclohexyl)-1H-pyrrole-3-sulfonamide is CC1(C)CCCC(NS(=O)(=O)c2c[nH]c(CN)c2)C1.
What is the InChIKey of 5-(aminomethyl)-N-(3,3-dimethylcyclohexyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is LJBASWJOYCANGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-13(2)5-3-4-10(7-13)16-19(17,18)12-6-11(8-14)15-9-12/h6,9-10,15-16H,3-5,7-8,14H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-(3,3-dimethylcyclohexyl)-1H-pyrrole-3-sulfonamide?
5-(aminomethyl)-N-(3,3-dimethylcyclohexyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 285.41 g/mol, XLogP of 1.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(3,3-dimethylcyclohexyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106073012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).