5-(aminomethyl)-N-(cyclobutylmethyl)-1-cyclopropylpyrrole-3-sulfonamide

C13H21N3O2S — CID 106024800

IUPAC5-(aminomethyl)-N-(cyclobutylmethyl)-1-cyclopropylpyrrole-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)NCC2CCC2)cn1C1CC1
InChIInChI=1S/C13H21N3O2S/c14-7-12-6-13(9-16(12)11-4-5-11)19(17,18)15-8-10-2-1-3-10/h6,9-11,15H,1-5,7-8,14H2
InChIKeyYIBVFMUVNNCHSG-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.36
Rot. Bonds6

About 5-(aminomethyl)-N-(cyclobutylmethyl)-1-cyclopropylpyrrole-3-sulfonamide

5-(aminomethyl)-N-(cyclobutylmethyl)-1-cyclopropylpyrrole-3-sulfonamide (PubChem CID 106024800) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(cyclobutylmethyl)-1-cyclopropylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(cyclobutylmethyl)-1-cyclopropylpyrrole-3-sulfonamide
PubChem CID106024800
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name5-(aminomethyl)-N-(cyclobutylmethyl)-1-cyclopropylpyrrole-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)NCC2CCC2)cn1C1CC1
InChIInChI=1S/C13H21N3O2S/c14-7-12-6-13(9-16(12)11-4-5-11)19(17,18)15-8-10-2-1-3-10/h6,9-11,15H,1-5,7-8,14H2
InChIKeyYIBVFMUVNNCHSG-UHFFFAOYSA-N
XLogP1.36
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-N-(4-chlorophenyl)-1-cyclopropylpyrrole-3-sulfonamide
CID 106060831
5-(aminomethyl)-1-cyclopropyl-N-(1,2-oxazol-3-ylmethyl)pyrrole-3-sulfonamide
CID 81173672
5-(aminomethyl)-1-cyclopropyl-N-(3-methylcyclopentyl)pyrrole-3-sulfonamide
CID 114551930
5-(aminomethyl)-1-cyclopropyl-N-(2-methyloxolan-3-yl)pyrrole-3-sulfonamide
CID 106076278
5-(aminomethyl)-1-cyclopropyl-N-[4-(dimethylamino)butan-2-yl]pyrrole-3-sulfonamide
CID 106054923
5-(aminomethyl)-1-propan-2-yl-N-(thian-4-ylmethyl)pyrrole-3-sulfonamide
CID 106078628
5-(aminomethyl)-1-cyclopropyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrrole-3-sulfonamide
CID 106051402
N-(cyclobutylmethyl)-4-hydrazinylbenzenesulfonamide
CID 43455189
5-(aminomethyl)-N-[(1-methylpyrrolidin-2-yl)methyl]-1-propylpyrrole-3-sulfonamide
CID 106094824
4-(cyclobutylmethylsulfamoyl)-1-propylpyrrole-2-carboxylic acid
CID 43644546
5-(chloromethyl)-1-cyclopropyl-N-(2-methoxypropyl)pyrrole-3-sulfonamide
CID 102701378
5-(hydroxymethyl)-1-methyl-N-[(3-methylcyclohexyl)methyl]pyrrole-3-sulfonamide
CID 106001030

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(cyclobutylmethyl)-1-cyclopropylpyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(cyclobutylmethyl)-1-cyclopropylpyrrole-3-sulfonamide (CID 106024800) is 5-(aminomethyl)-N-(cyclobutylmethyl)-1-cyclopropylpyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(cyclobutylmethyl)-1-cyclopropylpyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(cyclobutylmethyl)-1-cyclopropylpyrrole-3-sulfonamide is NCc1cc(S(=O)(=O)NCC2CCC2)cn1C1CC1.
What is the InChIKey of 5-(aminomethyl)-N-(cyclobutylmethyl)-1-cyclopropylpyrrole-3-sulfonamide?
The InChIKey is YIBVFMUVNNCHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c14-7-12-6-13(9-16(12)11-4-5-11)19(17,18)15-8-10-2-1-3-10/h6,9-11,15H,1-5,7-8,14H2.
What are the key properties of 5-(aminomethyl)-N-(cyclobutylmethyl)-1-cyclopropylpyrrole-3-sulfonamide?
5-(aminomethyl)-N-(cyclobutylmethyl)-1-cyclopropylpyrrole-3-sulfonamide has a molecular weight of 283.40 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(cyclobutylmethyl)-1-cyclopropylpyrrole-3-sulfonamide is sourced from PubChem (CID 106024800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).