5-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-1H-pyrrole-3-sulfonamide

C12H22N4O2S — CID 106074079

IUPAC5-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-1H-pyrrole-3-sulfonamide
SMILESCC1CC(NS(=O)(=O)c2c[nH]c(CN)c2)CCN1C
InChIInChI=1S/C12H22N4O2S/c1-9-5-10(3-4-16(9)2)15-19(17,18)12-6-11(7-13)14-8-12/h6,8-10,14-15H,3-5,7,13H2,1-2H3
InChIKeyFBWAXUJUPHEROQ-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.23
Rot. Bonds4

About 5-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-1H-pyrrole-3-sulfonamide

5-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-1H-pyrrole-3-sulfonamide (PubChem CID 106074079) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-1H-pyrrole-3-sulfonamide
PubChem CID106074079
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name5-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-1H-pyrrole-3-sulfonamide
SMILESCC1CC(NS(=O)(=O)c2c[nH]c(CN)c2)CCN1C
InChIInChI=1S/C12H22N4O2S/c1-9-5-10(3-4-16(9)2)15-19(17,18)12-6-11(7-13)14-8-12/h6,8-10,14-15H,3-5,7,13H2,1-2H3
InChIKeyFBWAXUJUPHEROQ-UHFFFAOYSA-N
XLogP0.23
TPSA91.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-(oxan-4-yl)-1H-pyrrole-3-sulfonamide
CID 114135299
N-(1,2-dimethylpiperidin-4-yl)benzenesulfonamide
CID 79032927
5-(aminomethyl)-N-(2-methylcyclopentyl)-1H-pyrrole-3-sulfonamide
CID 114141354
5-(aminomethyl)-N-(3,3-dimethylcyclohexyl)-1H-pyrrole-3-sulfonamide
CID 106073012
4-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide
CID 106074086
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-(methylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106073994
5-[(1,2-dimethylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide
CID 114614625
4-bromo-N-(1,2-dimethylpiperidin-4-yl)-3-fluorobenzenesulfonamide
CID 103697791
5-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-1H-pyrrole-3-sulfonamide
CID 114141650
3-amino-5-bromo-N-(1,2-dimethylpiperidin-4-yl)-2-methylbenzenesulfonamide
CID 114379990
6-cyano-N-(1,2-dimethylpiperidin-4-yl)pyridine-3-sulfonamide
CID 115650598
N-(3-methylcyclohexyl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106027622

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-1H-pyrrole-3-sulfonamide (CID 106074079) is 5-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-1H-pyrrole-3-sulfonamide is CC1CC(NS(=O)(=O)c2c[nH]c(CN)c2)CCN1C.
What is the InChIKey of 5-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-1H-pyrrole-3-sulfonamide?
The InChIKey is FBWAXUJUPHEROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-9-5-10(3-4-16(9)2)15-19(17,18)12-6-11(7-13)14-8-12/h6,8-10,14-15H,3-5,7,13H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-1H-pyrrole-3-sulfonamide?
5-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-1H-pyrrole-3-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(1,2-dimethylpiperidin-4-yl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106074079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).