5-(aminomethyl)-N-(2-thiophen-2-ylethyl)-1H-pyrrole-3-sulfonamide

C11H15N3O2S2 — CID 114132189

IUPAC5-(aminomethyl)-N-(2-thiophen-2-ylethyl)-1H-pyrrole-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)NCCc2cccs2)c[nH]1
InChIInChI=1S/C11H15N3O2S2/c12-7-9-6-11(8-13-9)18(15,16)14-4-3-10-2-1-5-17-10/h1-2,5-6,8,13-14H,3-4,7,12H2
InChIKeyMMQAMOPHBWCARZ-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.06
Rot. Bonds6

About 5-(aminomethyl)-N-(2-thiophen-2-ylethyl)-1H-pyrrole-3-sulfonamide

5-(aminomethyl)-N-(2-thiophen-2-ylethyl)-1H-pyrrole-3-sulfonamide (PubChem CID 114132189) has the molecular formula C11H15N3O2S2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2-thiophen-2-ylethyl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2-thiophen-2-ylethyl)-1H-pyrrole-3-sulfonamide
PubChem CID114132189
Molecular FormulaC11H15N3O2S2
Molecular Weight285.39 g/mol
Exact Mass285.06
IUPAC Name5-(aminomethyl)-N-(2-thiophen-2-ylethyl)-1H-pyrrole-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)NCCc2cccs2)c[nH]1
InChIInChI=1S/C11H15N3O2S2/c12-7-9-6-11(8-13-9)18(15,16)14-4-3-10-2-1-5-17-10/h1-2,5-6,8,13-14H,3-4,7,12H2
InChIKeyMMQAMOPHBWCARZ-UHFFFAOYSA-N
XLogP1.06
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(aminomethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 18801910
4-(2-thiophen-2-ylethylsulfamoyl)thiophene-2-carboxylic acid
CID 61072796
3-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 3793268
5-(aminomethyl)-N-[(2-chlorophenyl)methyl]-1H-pyrrole-3-sulfonamide
CID 106058647
4-propyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 3793246
4-amino-2,6-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79588588
2-oxo-N-(2-thiophen-2-ylethyl)-3H-1,3-benzoxazole-5-sulfonamide
CID 110760667
2-(methylamino)-N-(2-thiophen-2-ylethyl)pyridine-4-sulfonamide
CID 62145049
2,5-difluoro-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 40753479
1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-sulfonamide
CID 49454127
2-amino-4-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 43257668
N-[2-methyl-4-(2-thiophen-2-ylethylsulfamoyl)phenyl]acetamide
CID 58962527

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2-thiophen-2-ylethyl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(2-thiophen-2-ylethyl)-1H-pyrrole-3-sulfonamide (CID 114132189) is 5-(aminomethyl)-N-(2-thiophen-2-ylethyl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2-thiophen-2-ylethyl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(2-thiophen-2-ylethyl)-1H-pyrrole-3-sulfonamide is NCc1cc(S(=O)(=O)NCCc2cccs2)c[nH]1.
What is the InChIKey of 5-(aminomethyl)-N-(2-thiophen-2-ylethyl)-1H-pyrrole-3-sulfonamide?
The InChIKey is MMQAMOPHBWCARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S2/c12-7-9-6-11(8-13-9)18(15,16)14-4-3-10-2-1-5-17-10/h1-2,5-6,8,13-14H,3-4,7,12H2.
What are the key properties of 5-(aminomethyl)-N-(2-thiophen-2-ylethyl)-1H-pyrrole-3-sulfonamide?
5-(aminomethyl)-N-(2-thiophen-2-ylethyl)-1H-pyrrole-3-sulfonamide has a molecular weight of 285.39 g/mol, XLogP of 1.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2-thiophen-2-ylethyl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 114132189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).