[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-1-ylmethanone

C17H25N3O3S — CID 15943566

IUPAC[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCCC3)CC2)cc1C
InChIInChI=1S/C17H25N3O3S/c1-14-5-6-16(13-15(14)2)24(22,23)20-11-9-19(10-12-20)17(21)18-7-3-4-8-18/h5-6,13H,3-4,7-12H2,1-2H3
InChIKeyBYXCCYKOEJSXHU-UHFFFAOYSA-N
MW351.47 g/mol
LogP1.83
Rot. Bonds2

About [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-1-ylmethanone

[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-1-ylmethanone (PubChem CID 15943566) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-1-ylmethanone
PubChem CID15943566
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCCC3)CC2)cc1C
InChIInChI=1S/C17H25N3O3S/c1-14-5-6-16(13-15(14)2)24(22,23)20-11-9-19(10-12-20)17(21)18-7-3-4-8-18/h5-6,13H,3-4,7-12H2,1-2H3
InChIKeyBYXCCYKOEJSXHU-UHFFFAOYSA-N
XLogP1.83
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 267368
CID 267368
CID 2147526
CID 2147526
CID 794419
CID 794419
CID 849899
CID 849899
CID 970354
CID 970354
CID 2928101
CID 2928101
CID 4125549
CID 4125549
CID 715061
CID 715061
CID 934546
CID 934546
CID 1299021
CID 1299021
CID 3236897
CID 3236897
CID 3338703
CID 3338703

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-1-ylmethanone (CID 15943566) is [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-1-ylmethanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCCC3)CC2)cc1C.
What is the InChIKey of [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is BYXCCYKOEJSXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-14-5-6-16(13-15(14)2)24(22,23)20-11-9-19(10-12-20)17(21)18-7-3-4-8-18/h5-6,13H,3-4,7-12H2,1-2H3.
What are the key properties of [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-1-ylmethanone?
[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 351.47 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 15943566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).