5-(aminomethyl)-1-ethyl-N-(3-methylbutyl)pyrrole-3-sulfonamide

C12H23N3O2S — CID 106059039

IUPAC5-(aminomethyl)-1-ethyl-N-(3-methylbutyl)pyrrole-3-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCCC(C)C)cc1CN
InChIInChI=1S/C12H23N3O2S/c1-4-15-9-12(7-11(15)8-13)18(16,17)14-6-5-10(2)3/h7,9-10,14H,4-6,8,13H2,1-3H3
InChIKeyLORSGZHJWISLDS-UHFFFAOYSA-N
MW273.40 g/mol
LogP1.29
Rot. Bonds7

About 5-(aminomethyl)-1-ethyl-N-(3-methylbutyl)pyrrole-3-sulfonamide

5-(aminomethyl)-1-ethyl-N-(3-methylbutyl)pyrrole-3-sulfonamide (PubChem CID 106059039) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is 5-(aminomethyl)-1-ethyl-N-(3-methylbutyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-1-ethyl-N-(3-methylbutyl)pyrrole-3-sulfonamide
PubChem CID106059039
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC Name5-(aminomethyl)-1-ethyl-N-(3-methylbutyl)pyrrole-3-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCCC(C)C)cc1CN
InChIInChI=1S/C12H23N3O2S/c1-4-15-9-12(7-11(15)8-13)18(16,17)14-6-5-10(2)3/h7,9-10,14H,4-6,8,13H2,1-3H3
InChIKeyLORSGZHJWISLDS-UHFFFAOYSA-N
XLogP1.29
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]pyrrole-3-sulfonamide
CID 106059232
5-(aminomethyl)-1-ethyl-N-[3-[methyl(propan-2-yl)amino]propyl]pyrrole-3-sulfonamide
CID 106095082
5-(aminomethyl)-1-ethyl-N-pentan-2-ylpyrrole-3-sulfonamide
CID 114140372
5-(aminomethyl)-1-ethyl-N-(4,4,4-trifluorobutyl)pyrrole-3-sulfonamide
CID 115522822
5-(aminomethyl)-1-ethyl-N-(4-methylsulfanylbutyl)pyrrole-3-sulfonamide
CID 106078027
5-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-1-ethylpyrrole-3-sulfonamide
CID 106079056
5-(aminomethyl)-1-ethyl-N-(3-propoxypropyl)pyrrole-3-sulfonamide
CID 106074138
5-(aminomethyl)-1-ethyl-N-(5-methylsulfanylpentyl)pyrrole-3-sulfonamide
CID 106093650
5-(aminomethyl)-N-(3-cyclopentylpropyl)-1-ethylpyrrole-3-sulfonamide
CID 106094516
5-(aminomethyl)-1-ethyl-N-[2-[2-methoxyethyl(methyl)amino]ethyl]pyrrole-3-sulfonamide
CID 106056421
5-(aminomethyl)-1-ethyl-N-(1-imidazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide
CID 106009824
5-(aminomethyl)-1-ethyl-N-(1-pyrazol-1-ylpropan-2-yl)pyrrole-3-sulfonamide
CID 106009480

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-ethyl-N-(3-methylbutyl)pyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-1-ethyl-N-(3-methylbutyl)pyrrole-3-sulfonamide (CID 106059039) is 5-(aminomethyl)-1-ethyl-N-(3-methylbutyl)pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-1-ethyl-N-(3-methylbutyl)pyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-1-ethyl-N-(3-methylbutyl)pyrrole-3-sulfonamide is CCn1cc(S(=O)(=O)NCCC(C)C)cc1CN.
What is the InChIKey of 5-(aminomethyl)-1-ethyl-N-(3-methylbutyl)pyrrole-3-sulfonamide?
The InChIKey is LORSGZHJWISLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-4-15-9-12(7-11(15)8-13)18(16,17)14-6-5-10(2)3/h7,9-10,14H,4-6,8,13H2,1-3H3.
What are the key properties of 5-(aminomethyl)-1-ethyl-N-(3-methylbutyl)pyrrole-3-sulfonamide?
5-(aminomethyl)-1-ethyl-N-(3-methylbutyl)pyrrole-3-sulfonamide has a molecular weight of 273.40 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-ethyl-N-(3-methylbutyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 106059039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).