5-(aminomethyl)-N-(1-ethylcyclobutyl)-1-methylpyrrole-3-sulfonamide

C12H21N3O2S — CID 113489226

IUPAC5-(aminomethyl)-N-(1-ethylcyclobutyl)-1-methylpyrrole-3-sulfonamide
SMILESCCC1(NS(=O)(=O)c2cc(CN)n(C)c2)CCC1
InChIInChI=1S/C12H21N3O2S/c1-3-12(5-4-6-12)14-18(16,17)11-7-10(8-13)15(2)9-11/h7,9,14H,3-6,8,13H2,1-2H3
InChIKeyZABBWAHLFDMWEI-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.09
Rot. Bonds5

About 5-(aminomethyl)-N-(1-ethylcyclobutyl)-1-methylpyrrole-3-sulfonamide

5-(aminomethyl)-N-(1-ethylcyclobutyl)-1-methylpyrrole-3-sulfonamide (PubChem CID 113489226) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(1-ethylcyclobutyl)-1-methylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(1-ethylcyclobutyl)-1-methylpyrrole-3-sulfonamide
PubChem CID113489226
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name5-(aminomethyl)-N-(1-ethylcyclobutyl)-1-methylpyrrole-3-sulfonamide
SMILESCCC1(NS(=O)(=O)c2cc(CN)n(C)c2)CCC1
InChIInChI=1S/C12H21N3O2S/c1-3-12(5-4-6-12)14-18(16,17)11-7-10(8-13)15(2)9-11/h7,9,14H,3-6,8,13H2,1-2H3
InChIKeyZABBWAHLFDMWEI-UHFFFAOYSA-N
XLogP1.09
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-(2,4,6-tribromophenyl)pyrrole-3-sulfonamide
CID 106002438
5-(aminomethyl)-N-[(4-ethylphenyl)methyl]-1-methylpyrrole-3-sulfonamide
CID 106088937
5-(aminomethyl)-1-methyl-N-(3-methyl-2-propan-2-ylbutyl)pyrrole-3-sulfonamide
CID 102915873
5-(aminomethyl)-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrrole-3-sulfonamide
CID 106081058
5-(aminomethyl)-N-(4-bromo-2-ethylphenyl)-1-methylpyrrole-3-sulfonamide
CID 106073387
2-(aminomethyl)-N-(1-ethylcyclobutyl)benzenesulfonamide
CID 113488706
5-(ethylaminomethyl)-1-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrrole-3-sulfonamide
CID 106218661
5-(aminomethyl)-N-(5-bromo-4-methyl-2-pyridinyl)-1-methylpyrrole-3-sulfonamide
CID 106070785
5-(aminomethyl)-N-(1,3-benzodioxol-5-yl)-1-methylpyrrole-3-sulfonamide
CID 106023600
5-(aminomethyl)-N-(5-bromo-3-methyl-2-pyridinyl)-1-methylpyrrole-3-sulfonamide
CID 106076757

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(1-ethylcyclobutyl)-1-methylpyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(1-ethylcyclobutyl)-1-methylpyrrole-3-sulfonamide (CID 113489226) is 5-(aminomethyl)-N-(1-ethylcyclobutyl)-1-methylpyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(1-ethylcyclobutyl)-1-methylpyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(1-ethylcyclobutyl)-1-methylpyrrole-3-sulfonamide is CCC1(NS(=O)(=O)c2cc(CN)n(C)c2)CCC1.
What is the InChIKey of 5-(aminomethyl)-N-(1-ethylcyclobutyl)-1-methylpyrrole-3-sulfonamide?
The InChIKey is ZABBWAHLFDMWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-3-12(5-4-6-12)14-18(16,17)11-7-10(8-13)15(2)9-11/h7,9,14H,3-6,8,13H2,1-2H3.
What are the key properties of 5-(aminomethyl)-N-(1-ethylcyclobutyl)-1-methylpyrrole-3-sulfonamide?
5-(aminomethyl)-N-(1-ethylcyclobutyl)-1-methylpyrrole-3-sulfonamide has a molecular weight of 271.39 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(1-ethylcyclobutyl)-1-methylpyrrole-3-sulfonamide is sourced from PubChem (CID 113489226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).