1-methyl-4-[4-[(2S)-2-methylbutanoyl]piperazin-1-yl]sulfonylpyrrole-2-carboxamide

C15H24N4O4S — CID 30291355

IUPAC1-methyl-4-[4-[(2S)-2-methylbutanoyl]piperazin-1-yl]sulfonylpyrrole-2-carboxamide
SMILESCC[C@H](C)C(=O)N1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1
InChIInChI=1S/C15H24N4O4S/c1-4-11(2)15(21)18-5-7-19(8-6-18)24(22,23)12-9-13(14(16)20)17(3)10-12/h9-11H,4-8H2,1-3H3,(H2,16,20)/t11-/m0/s1
InChIKeyISNBFUKVFGIAGG-NSHDSACASA-N
MW356.45 g/mol
LogP0.00
Rot. Bonds5

About 1-methyl-4-[4-[(2S)-2-methylbutanoyl]piperazin-1-yl]sulfonylpyrrole-2-carboxamide

1-methyl-4-[4-[(2S)-2-methylbutanoyl]piperazin-1-yl]sulfonylpyrrole-2-carboxamide (PubChem CID 30291355) has the molecular formula C15H24N4O4S and a molecular weight of 356.45 g/mol. Its IUPAC name is 1-methyl-4-[4-[(2S)-2-methylbutanoyl]piperazin-1-yl]sulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-4-[4-[(2S)-2-methylbutanoyl]piperazin-1-yl]sulfonylpyrrole-2-carboxamide
PubChem CID30291355
Molecular FormulaC15H24N4O4S
Molecular Weight356.45 g/mol
Exact Mass356.15
IUPAC Name1-methyl-4-[4-[(2S)-2-methylbutanoyl]piperazin-1-yl]sulfonylpyrrole-2-carboxamide
SMILESCC[C@H](C)C(=O)N1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1
InChIInChI=1S/C15H24N4O4S/c1-4-11(2)15(21)18-5-7-19(8-6-18)24(22,23)12-9-13(14(16)20)17(3)10-12/h9-11H,4-8H2,1-3H3,(H2,16,20)/t11-/m0/s1
InChIKeyISNBFUKVFGIAGG-NSHDSACASA-N
XLogP0.00
TPSA105.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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4-(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-1-methylpyrrole-2-carboxamide
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1-methyl-4-(1,4-thiazepan-4-ylsulfonyl)pyrrole-2-carboxamide
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1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-methylbutan-1-one
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4-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide
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(2S)-2-methyl-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 30288288
(2R)-2-methyl-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]butan-1-one
CID 93239817
1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-[2-(dimethylamino)-3-methylbutyl]piperidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-[(2S)-2-methylbutanoyl]piperazin-1-yl]sulfonylpyrrole-2-carboxamide?
The IUPAC name of 1-methyl-4-[4-[(2S)-2-methylbutanoyl]piperazin-1-yl]sulfonylpyrrole-2-carboxamide (CID 30291355) is 1-methyl-4-[4-[(2S)-2-methylbutanoyl]piperazin-1-yl]sulfonylpyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-4-[4-[(2S)-2-methylbutanoyl]piperazin-1-yl]sulfonylpyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-4-[4-[(2S)-2-methylbutanoyl]piperazin-1-yl]sulfonylpyrrole-2-carboxamide is CC[C@H](C)C(=O)N1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1.
What is the InChIKey of 1-methyl-4-[4-[(2S)-2-methylbutanoyl]piperazin-1-yl]sulfonylpyrrole-2-carboxamide?
The InChIKey is ISNBFUKVFGIAGG-NSHDSACASA-N. The full InChI is InChI=1S/C15H24N4O4S/c1-4-11(2)15(21)18-5-7-19(8-6-18)24(22,23)12-9-13(14(16)20)17(3)10-12/h9-11H,4-8H2,1-3H3,(H2,16,20)/t11-/m0/s1.
What are the key properties of 1-methyl-4-[4-[(2S)-2-methylbutanoyl]piperazin-1-yl]sulfonylpyrrole-2-carboxamide?
1-methyl-4-[4-[(2S)-2-methylbutanoyl]piperazin-1-yl]sulfonylpyrrole-2-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 0.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-[(2S)-2-methylbutanoyl]piperazin-1-yl]sulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 30291355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).