5-(aminomethyl)-1-methyl-N-(oxolan-3-yl)pyrrole-3-sulfonamide

C10H17N3O3S — CID 106072305

IUPAC5-(aminomethyl)-1-methyl-N-(oxolan-3-yl)pyrrole-3-sulfonamide
SMILESCn1cc(S(=O)(=O)NC2CCOC2)cc1CN
InChIInChI=1S/C10H17N3O3S/c1-13-6-10(4-9(13)5-11)17(14,15)12-8-2-3-16-7-8/h4,6,8,12H,2-3,5,7,11H2,1H3
InChIKeyWFCSUTVGUFPDQP-UHFFFAOYSA-N
MW259.33 g/mol
LogP-0.45
Rot. Bonds4

About 5-(aminomethyl)-1-methyl-N-(oxolan-3-yl)pyrrole-3-sulfonamide

5-(aminomethyl)-1-methyl-N-(oxolan-3-yl)pyrrole-3-sulfonamide (PubChem CID 106072305) has the molecular formula C10H17N3O3S and a molecular weight of 259.33 g/mol. Its IUPAC name is 5-(aminomethyl)-1-methyl-N-(oxolan-3-yl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-1-methyl-N-(oxolan-3-yl)pyrrole-3-sulfonamide
PubChem CID106072305
Molecular FormulaC10H17N3O3S
Molecular Weight259.33 g/mol
Exact Mass259.10
IUPAC Name5-(aminomethyl)-1-methyl-N-(oxolan-3-yl)pyrrole-3-sulfonamide
SMILESCn1cc(S(=O)(=O)NC2CCOC2)cc1CN
InChIInChI=1S/C10H17N3O3S/c1-13-6-10(4-9(13)5-11)17(14,15)12-8-2-3-16-7-8/h4,6,8,12H,2-3,5,7,11H2,1H3
InChIKeyWFCSUTVGUFPDQP-UHFFFAOYSA-N
XLogP-0.45
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(aminomethyl)-1-methyl-N-(oxolan-3-yl)pyrrole-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-5-(methylaminomethyl)-N-(oxan-3-yl)pyrrole-3-sulfonamide
CID 106065320
5-(methylaminomethyl)-N-(oxolan-3-yl)-1-propylpyrrole-3-sulfonamide
CID 106072487
5-[(cyclopropylamino)methyl]-1-ethyl-N-(oxolan-3-yl)pyrrole-3-sulfonamide
CID 106072562
5-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanyl)-1-methylpyrrole-3-sulfonamide
CID 106067674
5-(ethylaminomethyl)-N-(oxolan-3-yl)-1-propan-2-ylpyrrole-3-sulfonamide
CID 106072593
5-(aminomethyl)-N-(2,2-dimethylcyclopentyl)-1-methylpyrrole-3-sulfonamide
CID 106070972
5-(aminomethyl)-N-(1-cyclopropylethyl)-1-methylpyrrole-3-sulfonamide
CID 114134359
5-(aminomethyl)-1-methyl-N-(3-morpholin-4-ylpropyl)pyrrole-3-sulfonamide
CID 106030588
4-fluoro-3,5-dimethyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide
CID 99819137
4-ethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 110868831
N-(4-ethylcyclohexyl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106053101
5-(hydroxymethyl)-1-methyl-N-(thian-4-yl)pyrrole-3-sulfonamide
CID 114135604

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-methyl-N-(oxolan-3-yl)pyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-1-methyl-N-(oxolan-3-yl)pyrrole-3-sulfonamide (CID 106072305) is 5-(aminomethyl)-1-methyl-N-(oxolan-3-yl)pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-1-methyl-N-(oxolan-3-yl)pyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-1-methyl-N-(oxolan-3-yl)pyrrole-3-sulfonamide is Cn1cc(S(=O)(=O)NC2CCOC2)cc1CN.
What is the InChIKey of 5-(aminomethyl)-1-methyl-N-(oxolan-3-yl)pyrrole-3-sulfonamide?
The InChIKey is WFCSUTVGUFPDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3S/c1-13-6-10(4-9(13)5-11)17(14,15)12-8-2-3-16-7-8/h4,6,8,12H,2-3,5,7,11H2,1H3.
What are the key properties of 5-(aminomethyl)-1-methyl-N-(oxolan-3-yl)pyrrole-3-sulfonamide?
5-(aminomethyl)-1-methyl-N-(oxolan-3-yl)pyrrole-3-sulfonamide has a molecular weight of 259.33 g/mol, XLogP of -0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-methyl-N-(oxolan-3-yl)pyrrole-3-sulfonamide is sourced from PubChem (CID 106072305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).