5-(ethylaminomethyl)-N-(4-methylpiperazin-1-yl)-1H-pyrrole-3-sulfonamide

C12H23N5O2S — CID 106075562

IUPAC5-(ethylaminomethyl)-N-(4-methylpiperazin-1-yl)-1H-pyrrole-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NN2CCN(C)CC2)c[nH]1
InChIInChI=1S/C12H23N5O2S/c1-3-13-9-11-8-12(10-14-11)20(18,19)15-17-6-4-16(2)5-7-17/h8,10,13-15H,3-7,9H2,1-2H3
InChIKeyYGGVGBXJDKOWAF-UHFFFAOYSA-N
MW301.42 g/mol
LogP-0.44
Rot. Bonds6

About 5-(ethylaminomethyl)-N-(4-methylpiperazin-1-yl)-1H-pyrrole-3-sulfonamide

5-(ethylaminomethyl)-N-(4-methylpiperazin-1-yl)-1H-pyrrole-3-sulfonamide (PubChem CID 106075562) has the molecular formula C12H23N5O2S and a molecular weight of 301.42 g/mol. Its IUPAC name is 5-(ethylaminomethyl)-N-(4-methylpiperazin-1-yl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(ethylaminomethyl)-N-(4-methylpiperazin-1-yl)-1H-pyrrole-3-sulfonamide
PubChem CID106075562
Molecular FormulaC12H23N5O2S
Molecular Weight301.42 g/mol
Exact Mass301.16
IUPAC Name5-(ethylaminomethyl)-N-(4-methylpiperazin-1-yl)-1H-pyrrole-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)NN2CCN(C)CC2)c[nH]1
InChIInChI=1S/C12H23N5O2S/c1-3-13-9-11-8-12(10-14-11)20(18,19)15-17-6-4-16(2)5-7-17/h8,10,13-15H,3-7,9H2,1-2H3
InChIKeyYGGVGBXJDKOWAF-UHFFFAOYSA-N
XLogP-0.44
TPSA80.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylaminomethyl)-N-[(1-methylpiperidin-4-yl)methyl]-1H-pyrrole-3-sulfonamide
CID 106052912
5-(ethylaminomethyl)-N-(2-piperidin-1-ylethyl)-1H-pyrrole-3-sulfonamide
CID 106049758
5-(ethylaminomethyl)-N-(2-thiomorpholin-4-ylethyl)-1H-pyrrole-3-sulfonamide
CID 106327409
5-(ethylaminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)-1H-pyrrole-3-sulfonamide
CID 106050955
5-(ethylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)-1H-pyrrole-3-sulfonamide
CID 114142080
5-(ethylaminomethyl)-N-(3-methylbutyl)-1H-pyrrole-3-sulfonamide
CID 114141138
5-(ethylaminomethyl)-N-(4-fluorophenyl)-1H-pyrrole-3-sulfonamide
CID 106061783
N-(3,5-dichlorophenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106058974
N-(2,6-dichlorophenyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106066981
5-(ethylaminomethyl)-N-(4-methylpiperazin-1-yl)thiophene-2-sulfonamide
CID 106075483
N-(1-cyclobutylethyl)-5-(ethylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106084907
N-[[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]sulfonyl-1H-pyrrol-2-yl]methyl]ethanamine
CID 104969117

Frequently Asked Questions

What is the IUPAC name of 5-(ethylaminomethyl)-N-(4-methylpiperazin-1-yl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-(ethylaminomethyl)-N-(4-methylpiperazin-1-yl)-1H-pyrrole-3-sulfonamide (CID 106075562) is 5-(ethylaminomethyl)-N-(4-methylpiperazin-1-yl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(ethylaminomethyl)-N-(4-methylpiperazin-1-yl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-(ethylaminomethyl)-N-(4-methylpiperazin-1-yl)-1H-pyrrole-3-sulfonamide is CCNCc1cc(S(=O)(=O)NN2CCN(C)CC2)c[nH]1.
What is the InChIKey of 5-(ethylaminomethyl)-N-(4-methylpiperazin-1-yl)-1H-pyrrole-3-sulfonamide?
The InChIKey is YGGVGBXJDKOWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2S/c1-3-13-9-11-8-12(10-14-11)20(18,19)15-17-6-4-16(2)5-7-17/h8,10,13-15H,3-7,9H2,1-2H3.
What are the key properties of 5-(ethylaminomethyl)-N-(4-methylpiperazin-1-yl)-1H-pyrrole-3-sulfonamide?
5-(ethylaminomethyl)-N-(4-methylpiperazin-1-yl)-1H-pyrrole-3-sulfonamide has a molecular weight of 301.42 g/mol, XLogP of -0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylaminomethyl)-N-(4-methylpiperazin-1-yl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106075562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).