[4-(4-propylphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone

C17H25N3O3S2 — CID 119269754

IUPAC[4-(4-propylphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
SMILESCCCc1ccc(S(=O)(=O)N2CCN(C(=O)C3CSCN3)CC2)cc1
InChIInChI=1S/C17H25N3O3S2/c1-2-3-14-4-6-15(7-5-14)25(22,23)20-10-8-19(9-11-20)17(21)16-12-24-13-18-16/h4-7,16,18H,2-3,8-13H2,1H3
InChIKeyJAIOLRHXOLLFQZ-UHFFFAOYSA-N
MW383.54 g/mol
LogP1.13
Rot. Bonds5

About [4-(4-propylphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone

[4-(4-propylphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone (PubChem CID 119269754) has the molecular formula C17H25N3O3S2 and a molecular weight of 383.54 g/mol. Its IUPAC name is [4-(4-propylphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone.

Molecular Properties

Compound Name[4-(4-propylphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
PubChem CID119269754
Molecular FormulaC17H25N3O3S2
Molecular Weight383.54 g/mol
Exact Mass383.13
IUPAC Name[4-(4-propylphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
SMILESCCCc1ccc(S(=O)(=O)N2CCN(C(=O)C3CSCN3)CC2)cc1
InChIInChI=1S/C17H25N3O3S2/c1-2-3-14-4-6-15(7-5-14)25(22,23)20-10-8-19(9-11-20)17(21)16-12-24-13-18-16/h4-7,16,18H,2-3,8-13H2,1H3
InChIKeyJAIOLRHXOLLFQZ-UHFFFAOYSA-N
XLogP1.13
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]sulfonylfuran-2-carboxamide
CID 119295056
2-methyl-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 110817473
2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 119269764
[(2S)-oxolan-2-yl]-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone
CID 26776175
[4-(2-methylphenyl)sulfonyl-1,4-diazepan-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 110810557
3-methyl-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]but-2-en-1-one
CID 9246642
3-(4-methoxyphenyl)-1-[4-(1,3-thiazolidine-4-carbonyl)piperazin-1-yl]propan-1-one
CID 110803631
1-(4-butylphenyl)sulfonyl-4-(4-propylphenyl)sulfonylpiperazine
CID 19684728
(4-hydroxyphenyl)-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methanone
CID 112765347
2-(methylamino)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]ethanone;hydrochloride
CID 119686738
(2S)-2-amino-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]propan-1-one;hydrochloride
CID 119269757
4-methyl-1-(4-propylphenyl)sulfonylpiperidine
CID 17375841

Frequently Asked Questions

What is the IUPAC name of [4-(4-propylphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
The IUPAC name of [4-(4-propylphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone (CID 119269754) is [4-(4-propylphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone.
What is the SMILES notation for [4-(4-propylphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
The canonical SMILES for [4-(4-propylphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone is CCCc1ccc(S(=O)(=O)N2CCN(C(=O)C3CSCN3)CC2)cc1.
What is the InChIKey of [4-(4-propylphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
The InChIKey is JAIOLRHXOLLFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S2/c1-2-3-14-4-6-15(7-5-14)25(22,23)20-10-8-19(9-11-20)17(21)16-12-24-13-18-16/h4-7,16,18H,2-3,8-13H2,1H3.
What are the key properties of [4-(4-propylphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
[4-(4-propylphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone has a molecular weight of 383.54 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-propylphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone is sourced from PubChem (CID 119269754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).