5-(aminomethyl)-1-cyclopropyl-N-(2-methyloxolan-3-yl)pyrrole-3-sulfonamide

C13H21N3O3S — CID 106076278

IUPAC5-(aminomethyl)-1-cyclopropyl-N-(2-methyloxolan-3-yl)pyrrole-3-sulfonamide
SMILESCC1OCCC1NS(=O)(=O)c1cc(CN)n(C2CC2)c1
InChIInChI=1S/C13H21N3O3S/c1-9-13(4-5-19-9)15-20(17,18)12-6-11(7-14)16(8-12)10-2-3-10/h6,8-10,13,15H,2-5,7,14H2,1H3
InChIKeyZNNCZKGGRWVYDE-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.74
Rot. Bonds5

About 5-(aminomethyl)-1-cyclopropyl-N-(2-methyloxolan-3-yl)pyrrole-3-sulfonamide

5-(aminomethyl)-1-cyclopropyl-N-(2-methyloxolan-3-yl)pyrrole-3-sulfonamide (PubChem CID 106076278) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 5-(aminomethyl)-1-cyclopropyl-N-(2-methyloxolan-3-yl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-1-cyclopropyl-N-(2-methyloxolan-3-yl)pyrrole-3-sulfonamide
PubChem CID106076278
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name5-(aminomethyl)-1-cyclopropyl-N-(2-methyloxolan-3-yl)pyrrole-3-sulfonamide
SMILESCC1OCCC1NS(=O)(=O)c1cc(CN)n(C2CC2)c1
InChIInChI=1S/C13H21N3O3S/c1-9-13(4-5-19-9)15-20(17,18)12-6-11(7-14)16(8-12)10-2-3-10/h6,8-10,13,15H,2-5,7,14H2,1H3
InChIKeyZNNCZKGGRWVYDE-UHFFFAOYSA-N
XLogP0.74
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-1-cyclopropyl-N-(3-methylcyclopentyl)pyrrole-3-sulfonamide
CID 114551930
5-(aminomethyl)-N-(cyclobutylmethyl)-1-cyclopropylpyrrole-3-sulfonamide
CID 106024800
5-(aminomethyl)-1-cyclopropyl-N-[4-(dimethylamino)butan-2-yl]pyrrole-3-sulfonamide
CID 106054923
5-(aminomethyl)-N-(4-chlorophenyl)-1-cyclopropylpyrrole-3-sulfonamide
CID 106060831
3-(aminomethyl)-4-methoxy-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 106076121
5-(aminomethyl)-1-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)pyrrole-3-sulfonamide
CID 81173672
5-(aminomethyl)-2-bromo-N-(2-methyloxolan-3-yl)furan-3-sulfonamide
CID 106076206
1-cyclopropyl-N-(2-methyloxolan-3-yl)-4-sulfamoylpyrrole-2-carboxamide
CID 114612454
5-(aminomethyl)-1-cyclopropyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrrole-3-sulfonamide
CID 106051402
5-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)-1-ethylpyrrole-3-sulfonamide
CID 106083043
4-(1-aminoethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82728733
3-(aminomethyl)-5-chloro-2-methyl-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 106076335

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-cyclopropyl-N-(2-methyloxolan-3-yl)pyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-1-cyclopropyl-N-(2-methyloxolan-3-yl)pyrrole-3-sulfonamide (CID 106076278) is 5-(aminomethyl)-1-cyclopropyl-N-(2-methyloxolan-3-yl)pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-1-cyclopropyl-N-(2-methyloxolan-3-yl)pyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-1-cyclopropyl-N-(2-methyloxolan-3-yl)pyrrole-3-sulfonamide is CC1OCCC1NS(=O)(=O)c1cc(CN)n(C2CC2)c1.
What is the InChIKey of 5-(aminomethyl)-1-cyclopropyl-N-(2-methyloxolan-3-yl)pyrrole-3-sulfonamide?
The InChIKey is ZNNCZKGGRWVYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-9-13(4-5-19-9)15-20(17,18)12-6-11(7-14)16(8-12)10-2-3-10/h6,8-10,13,15H,2-5,7,14H2,1H3.
What are the key properties of 5-(aminomethyl)-1-cyclopropyl-N-(2-methyloxolan-3-yl)pyrrole-3-sulfonamide?
5-(aminomethyl)-1-cyclopropyl-N-(2-methyloxolan-3-yl)pyrrole-3-sulfonamide has a molecular weight of 299.40 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-cyclopropyl-N-(2-methyloxolan-3-yl)pyrrole-3-sulfonamide is sourced from PubChem (CID 106076278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).