1-methyl-4-[(3S)-3-methylpiperazin-1-yl]sulfonylpyrrole-2-carboxamide

C11H18N4O3S — CID 104976475

IUPAC1-methyl-4-[(3S)-3-methylpiperazin-1-yl]sulfonylpyrrole-2-carboxamide
SMILESC[C@H]1CN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CCN1
InChIInChI=1S/C11H18N4O3S/c1-8-6-15(4-3-13-8)19(17,18)9-5-10(11(12)16)14(2)7-9/h5,7-8,13H,3-4,6H2,1-2H3,(H2,12,16)/t8-/m0/s1
InChIKeyOJIHNYZMGXYWIF-QMMMGPOBSA-N
MW286.36 g/mol
LogP-0.89
Rot. Bonds3

About 1-methyl-4-[(3S)-3-methylpiperazin-1-yl]sulfonylpyrrole-2-carboxamide

1-methyl-4-[(3S)-3-methylpiperazin-1-yl]sulfonylpyrrole-2-carboxamide (PubChem CID 104976475) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is 1-methyl-4-[(3S)-3-methylpiperazin-1-yl]sulfonylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-4-[(3S)-3-methylpiperazin-1-yl]sulfonylpyrrole-2-carboxamide
PubChem CID104976475
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name1-methyl-4-[(3S)-3-methylpiperazin-1-yl]sulfonylpyrrole-2-carboxamide
SMILESC[C@H]1CN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CCN1
InChIInChI=1S/C11H18N4O3S/c1-8-6-15(4-3-13-8)19(17,18)9-5-10(11(12)16)14(2)7-9/h5,7-8,13H,3-4,6H2,1-2H3,(H2,12,16)/t8-/m0/s1
InChIKeyOJIHNYZMGXYWIF-QMMMGPOBSA-N
XLogP-0.89
TPSA97.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpyrrolidine-3-carboxylic acid
CID 63032539
4-[3-(aminomethyl)-4-methylpiperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide
CID 114960857
1-methyl-4-(1,4-thiazepan-4-ylsulfonyl)pyrrole-2-carboxamide
CID 86992432
[1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrol-2-yl]-(3-methylpiperazin-1-yl)methanone
CID 119578457
[1-methyl-4-(3-methylpiperidin-1-yl)sulfonylpyrrol-2-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119578456
4-[3-(1-aminoethyl)piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119984390
4-(4-hydroxy-4-methylpiperidin-1-yl)sulfonyl-1-methylpyrrole-2-carboxamide
CID 81103089
4-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119974812
1-methyl-4-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]sulfonylpyrrole-2-carboxamide
CID 24563839
4-(3-aminopyrrolidin-1-yl)sulfonyl-1-methylpyrrole-2-carboxylic acid
CID 55029596
1-(3,5-dichlorophenyl)sulfonyl-3-methylpiperazine
CID 65448062
(3R)-3-methyl-1-(1H-pyrrol-3-ylsulfonyl)piperazine
CID 104975048

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(3S)-3-methylpiperazin-1-yl]sulfonylpyrrole-2-carboxamide?
The IUPAC name of 1-methyl-4-[(3S)-3-methylpiperazin-1-yl]sulfonylpyrrole-2-carboxamide (CID 104976475) is 1-methyl-4-[(3S)-3-methylpiperazin-1-yl]sulfonylpyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-4-[(3S)-3-methylpiperazin-1-yl]sulfonylpyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-4-[(3S)-3-methylpiperazin-1-yl]sulfonylpyrrole-2-carboxamide is C[C@H]1CN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CCN1.
What is the InChIKey of 1-methyl-4-[(3S)-3-methylpiperazin-1-yl]sulfonylpyrrole-2-carboxamide?
The InChIKey is OJIHNYZMGXYWIF-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-8-6-15(4-3-13-8)19(17,18)9-5-10(11(12)16)14(2)7-9/h5,7-8,13H,3-4,6H2,1-2H3,(H2,12,16)/t8-/m0/s1.
What are the key properties of 1-methyl-4-[(3S)-3-methylpiperazin-1-yl]sulfonylpyrrole-2-carboxamide?
1-methyl-4-[(3S)-3-methylpiperazin-1-yl]sulfonylpyrrole-2-carboxamide has a molecular weight of 286.36 g/mol, XLogP of -0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(3S)-3-methylpiperazin-1-yl]sulfonylpyrrole-2-carboxamide is sourced from PubChem (CID 104976475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).