[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-2-ylmethanone

C16H23N3O3S — CID 119265303

IUPAC[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-2-ylmethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCCN3)CC2)cc1
InChIInChI=1S/C16H23N3O3S/c1-13-4-6-14(7-5-13)23(21,22)19-11-9-18(10-12-19)16(20)15-3-2-8-17-15/h4-7,15,17H,2-3,8-12H2,1H3
InChIKeyOYHNIFGWTDJNGN-UHFFFAOYSA-N
MW337.44 g/mol
LogP0.58
Rot. Bonds3

About [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-2-ylmethanone

[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-2-ylmethanone (PubChem CID 119265303) has the molecular formula C16H23N3O3S and a molecular weight of 337.44 g/mol. Its IUPAC name is [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-2-ylmethanone
PubChem CID119265303
Molecular FormulaC16H23N3O3S
Molecular Weight337.44 g/mol
Exact Mass337.15
IUPAC Name[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-2-ylmethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCCN3)CC2)cc1
InChIInChI=1S/C16H23N3O3S/c1-13-4-6-14(7-5-13)23(21,22)19-11-9-18(10-12-19)16(20)15-3-2-8-17-15/h4-7,15,17H,2-3,8-12H2,1H3
InChIKeyOYHNIFGWTDJNGN-UHFFFAOYSA-N
XLogP0.58
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(benzenesulfonyl)piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 119678305
piperidin-2-yl-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 119266631
[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119268600
[4-(benzenesulfonyl)-1,4-diazepan-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119302923
(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-piperidin-2-ylmethanone
CID 119265307
cyclopentyl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 38838505
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-1-ylmethanone
CID 849899
[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 1327862
[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119265592
[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-piperazin-1-ylmethanone;hydrochloride
CID 119401627
[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 119275906
2-adamantyl-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 46532239

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-2-ylmethanone?
The IUPAC name of [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-2-ylmethanone (CID 119265303) is [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-2-ylmethanone.
What is the SMILES notation for [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-2-ylmethanone?
The canonical SMILES for [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-2-ylmethanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCCN3)CC2)cc1.
What is the InChIKey of [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-2-ylmethanone?
The InChIKey is OYHNIFGWTDJNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-13-4-6-14(7-5-13)23(21,22)19-11-9-18(10-12-19)16(20)15-3-2-8-17-15/h4-7,15,17H,2-3,8-12H2,1H3.
What are the key properties of [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-2-ylmethanone?
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-2-ylmethanone has a molecular weight of 337.44 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 119265303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).