5-(aminomethyl)-N-[3-(1H-imidazol-2-yl)propyl]-1H-pyrrole-3-sulfonamide

C11H17N5O2S — CID 106081668

IUPAC5-(aminomethyl)-N-[3-(1H-imidazol-2-yl)propyl]-1H-pyrrole-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)NCCCc2ncc[nH]2)c[nH]1
InChIInChI=1S/C11H17N5O2S/c12-7-9-6-10(8-15-9)19(17,18)16-3-1-2-11-13-4-5-14-11/h4-6,8,15-16H,1-3,7,12H2,(H,13,14)
InChIKeyJPIAAHZBYLIJRG-UHFFFAOYSA-N
MW283.36 g/mol
LogP0.11
Rot. Bonds7

About 5-(aminomethyl)-N-[3-(1H-imidazol-2-yl)propyl]-1H-pyrrole-3-sulfonamide

5-(aminomethyl)-N-[3-(1H-imidazol-2-yl)propyl]-1H-pyrrole-3-sulfonamide (PubChem CID 106081668) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[3-(1H-imidazol-2-yl)propyl]-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-[3-(1H-imidazol-2-yl)propyl]-1H-pyrrole-3-sulfonamide
PubChem CID106081668
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC Name5-(aminomethyl)-N-[3-(1H-imidazol-2-yl)propyl]-1H-pyrrole-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)NCCCc2ncc[nH]2)c[nH]1
InChIInChI=1S/C11H17N5O2S/c12-7-9-6-10(8-15-9)19(17,18)16-3-1-2-11-13-4-5-14-11/h4-6,8,15-16H,1-3,7,12H2,(H,13,14)
InChIKeyJPIAAHZBYLIJRG-UHFFFAOYSA-N
XLogP0.11
TPSA116.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 50.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-bromo-4-chloro-N-[3-(1H-imidazol-2-yl)propyl]benzenesulfonamide
CID 106606470
6-(aminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 114613759
3-hydrazinyl-N-[3-(1H-imidazol-2-yl)propyl]pyridine-2-sulfonamide
CID 103302080
5-(aminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]-2-methylfuran-3-sulfonamide
CID 106085167
5-(aminomethyl)-N-(2-thiophen-2-ylethyl)-1H-pyrrole-3-sulfonamide
CID 114132189
5-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-1H-pyrrole-3-sulfonamide
CID 102915798
5-(aminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]furan-2-sulfonamide
CID 106085204
3-(1H-imidazol-2-yl)-N-(propan-2-ylsulfamoyl)propan-1-amine
CID 114810323
5-(aminomethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrrole-3-sulfonamide
CID 79356914
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-(1H-imidazol-2-yl)propyl]-3-methylbenzenesulfonamide
CID 171389298
5-(aminomethyl)-N-[2-(1H-imidazol-2-yl)ethyl]-2,3-dimethylbenzenesulfonamide
CID 106085239
5-(aminomethyl)-N-(1H-pyrazol-4-ylmethyl)-1H-pyrrole-3-sulfonamide
CID 114137503

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[3-(1H-imidazol-2-yl)propyl]-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-N-[3-(1H-imidazol-2-yl)propyl]-1H-pyrrole-3-sulfonamide (CID 106081668) is 5-(aminomethyl)-N-[3-(1H-imidazol-2-yl)propyl]-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-[3-(1H-imidazol-2-yl)propyl]-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-[3-(1H-imidazol-2-yl)propyl]-1H-pyrrole-3-sulfonamide is NCc1cc(S(=O)(=O)NCCCc2ncc[nH]2)c[nH]1.
What is the InChIKey of 5-(aminomethyl)-N-[3-(1H-imidazol-2-yl)propyl]-1H-pyrrole-3-sulfonamide?
The InChIKey is JPIAAHZBYLIJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S/c12-7-9-6-10(8-15-9)19(17,18)16-3-1-2-11-13-4-5-14-11/h4-6,8,15-16H,1-3,7,12H2,(H,13,14).
What are the key properties of 5-(aminomethyl)-N-[3-(1H-imidazol-2-yl)propyl]-1H-pyrrole-3-sulfonamide?
5-(aminomethyl)-N-[3-(1H-imidazol-2-yl)propyl]-1H-pyrrole-3-sulfonamide has a molecular weight of 283.36 g/mol, XLogP of 0.11, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[3-(1H-imidazol-2-yl)propyl]-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106081668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).