5-(ethylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrrole-3-sulfonamide

C11H18N6O2S — CID 106068071

IUPAC5-(ethylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrrole-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCCc2ncn[nH]2)c[nH]1
InChIInChI=1S/C11H18N6O2S/c1-2-12-6-9-5-10(7-13-9)20(18,19)16-4-3-11-14-8-15-17-11/h5,7-8,12-13,16H,2-4,6H2,1H3,(H,14,15,17)
InChIKeyMKOOXSRHUIVTDT-UHFFFAOYSA-N
MW298.37 g/mol
LogP-0.24
Rot. Bonds8

About 5-(ethylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrrole-3-sulfonamide

5-(ethylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrrole-3-sulfonamide (PubChem CID 106068071) has the molecular formula C11H18N6O2S and a molecular weight of 298.37 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrrole-3-sulfonamide
PubChem CID106068071
Molecular FormulaC11H18N6O2S
Molecular Weight298.37 g/mol
Exact Mass298.12
IUPAC Name5-(ethylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrrole-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NCCc2ncn[nH]2)c[nH]1
InChIInChI=1S/C11H18N6O2S/c1-2-12-6-9-5-10(7-13-9)20(18,19)16-4-3-11-14-8-15-17-11/h5,7-8,12-13,16H,2-4,6H2,1H3,(H,14,15,17)
InChIKeyMKOOXSRHUIVTDT-UHFFFAOYSA-N
XLogP-0.24
TPSA115.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 5-0.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-(propylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrrole-3-sulfonamide
CID 106068070
5-(ethylaminomethyl)-N-(3-methylbutyl)-1H-pyrrole-3-sulfonamide
CID 114141138
3,5-dichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64529701
4-[3-(1H-1,2,4-triazol-5-yl)propylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 64547602
2-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-sulfonamide
CID 64523776
6-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 64524954
4-(methylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64531771
5-(ethylaminomethyl)-N-(2-piperidin-1-ylethyl)-1H-pyrrole-3-sulfonamide
CID 106049758
5-(ethylaminomethyl)-N-[3-(2-methoxyethoxy)propyl]-1H-pyrrole-3-sulfonamide
CID 106001839
4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64518969
4-bromo-3-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64529312
4-chloro-3-(ethylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 106013274

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrrole-3-sulfonamide (CID 106068071) is 5-(ethylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrrole-3-sulfonamide is CCNCc1cc(S(=O)(=O)NCCc2ncn[nH]2)c[nH]1.
What is the InChIKey of 5-(ethylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrrole-3-sulfonamide?
The InChIKey is MKOOXSRHUIVTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2S/c1-2-12-6-9-5-10(7-13-9)20(18,19)16-4-3-11-14-8-15-17-11/h5,7-8,12-13,16H,2-4,6H2,1H3,(H,14,15,17).
What are the key properties of 5-(ethylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrrole-3-sulfonamide?
5-(ethylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrrole-3-sulfonamide has a molecular weight of 298.37 g/mol, XLogP of -0.24, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106068071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).