1-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrrole-3-sulfonamide

C11H18N4O3S — CID 60894937

IUPAC1-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrrole-3-sulfonamide
SMILESCn1ccc(S(=O)(=O)NCC(=O)N2CCNCC2)c1
InChIInChI=1S/C11H18N4O3S/c1-14-5-2-10(9-14)19(17,18)13-8-11(16)15-6-3-12-4-7-15/h2,5,9,12-13H,3-4,6-8H2,1H3
InChIKeyVOYAZXKESJGMLH-UHFFFAOYSA-N
MW286.36 g/mol
LogP-1.26
Rot. Bonds4

About 1-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrrole-3-sulfonamide

1-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrrole-3-sulfonamide (PubChem CID 60894937) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is 1-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrrole-3-sulfonamide
PubChem CID60894937
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name1-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrrole-3-sulfonamide
SMILESCn1ccc(S(=O)(=O)NCC(=O)N2CCNCC2)c1
InChIInChI=1S/C11H18N4O3S/c1-14-5-2-10(9-14)19(17,18)13-8-11(16)15-6-3-12-4-7-15/h2,5,9,12-13H,3-4,6-8H2,1H3
InChIKeyVOYAZXKESJGMLH-UHFFFAOYSA-N
XLogP-1.26
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dichloro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 60894571
2-(1-methylpyrrol-3-yl)-1-piperazin-1-ylethanone
CID 82283489
2-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrazole-3-sulfonamide
CID 104710214
5-chloro-N-(2-oxo-2-piperazin-1-ylethyl)thiophene-2-sulfonamide
CID 60894936
3,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 110712399
N-(2-oxo-2-piperazin-1-ylethyl)ethanesulfonamide;hydrochloride
CID 119967617
N-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-4-(trifluoromethoxy)benzenesulfonamide;hydrochloride
CID 119415385
2,4-difluoro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 60895838
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3,4-dichlorobenzenesulfonamide
CID 112991971
N-(3-hydroxy-2-methylpropyl)-1-methylpyrrole-3-sulfonamide
CID 65033956
2-ethyl-2-[[(1-methylpyrrol-3-yl)sulfonylamino]methyl]butanoic acid
CID 113308523
3-hydroxy-3-methyl-4-[(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid
CID 66002746

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrrole-3-sulfonamide?
The IUPAC name of 1-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrrole-3-sulfonamide (CID 60894937) is 1-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrrole-3-sulfonamide.
What is the SMILES notation for 1-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrrole-3-sulfonamide?
The canonical SMILES for 1-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrrole-3-sulfonamide is Cn1ccc(S(=O)(=O)NCC(=O)N2CCNCC2)c1.
What is the InChIKey of 1-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrrole-3-sulfonamide?
The InChIKey is VOYAZXKESJGMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-14-5-2-10(9-14)19(17,18)13-8-11(16)15-6-3-12-4-7-15/h2,5,9,12-13H,3-4,6-8H2,1H3.
What are the key properties of 1-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrrole-3-sulfonamide?
1-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrrole-3-sulfonamide has a molecular weight of 286.36 g/mol, XLogP of -1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-oxo-2-piperazin-1-ylethyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 60894937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).