[2-(3-chlorophenyl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone

C15H19ClN2O3S — CID 120802900

IUPAC[2-(3-chlorophenyl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone
SMILESO=C(C1CCS(=O)(=O)C1)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2O3S/c16-13-3-1-2-11(8-13)14-9-17-5-6-18(14)15(19)12-4-7-22(20,21)10-12/h1-3,8,12,14,17H,4-7,9-10H2
InChIKeyZSGKAZUSALTAQA-UHFFFAOYSA-N
MW342.85 g/mol
LogP1.25
Rot. Bonds2

About [2-(3-chlorophenyl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone

[2-(3-chlorophenyl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone (PubChem CID 120802900) has the molecular formula C15H19ClN2O3S and a molecular weight of 342.85 g/mol. Its IUPAC name is [2-(3-chlorophenyl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone.

Molecular Properties

Compound Name[2-(3-chlorophenyl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone
PubChem CID120802900
Molecular FormulaC15H19ClN2O3S
Molecular Weight342.85 g/mol
Exact Mass342.08
IUPAC Name[2-(3-chlorophenyl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone
SMILESO=C(C1CCS(=O)(=O)C1)N1CCNCC1c1cccc(Cl)c1
InChIInChI=1S/C15H19ClN2O3S/c16-13-3-1-2-11(8-13)14-9-17-5-6-18(14)15(19)12-4-7-22(20,21)10-12/h1-3,8,12,14,17H,4-7,9-10H2
InChIKeyZSGKAZUSALTAQA-UHFFFAOYSA-N
XLogP1.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.85
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1,1-dioxothiolan-3-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120736331
7-bicyclo[4.1.0]heptanyl-[2-(3-chlorophenyl)piperazin-1-yl]methanone
CID 120803541
[2-(3-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone
CID 120802294
5-[2-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one
CID 120802104
[2-(3-chlorophenyl)piperazin-1-yl]-(oxolan-3-yl)methanone;hydrochloride
CID 120803594
5-[2-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride
CID 120802103
(4R)-4-[2-(3-chlorophenyl)piperazine-1-carbonyl]-1,3-thiazolidin-2-one
CID 120803117
[2-(3-chlorophenyl)piperazin-1-yl]-(5-chloro-2-pyridinyl)methanone
CID 120802965
N-[1-[2-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 120801926
1-[2-(3-chlorophenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 120803593
[2-(3-chlorophenyl)piperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 120802374
(1,1-dioxothian-4-yl)-[2-(2-fluorophenyl)piperazin-1-yl]methanone
CID 118016919

Frequently Asked Questions

What is the IUPAC name of [2-(3-chlorophenyl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone?
The IUPAC name of [2-(3-chlorophenyl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone (CID 120802900) is [2-(3-chlorophenyl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone.
What is the SMILES notation for [2-(3-chlorophenyl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone?
The canonical SMILES for [2-(3-chlorophenyl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone is O=C(C1CCS(=O)(=O)C1)N1CCNCC1c1cccc(Cl)c1.
What is the InChIKey of [2-(3-chlorophenyl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone?
The InChIKey is ZSGKAZUSALTAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3S/c16-13-3-1-2-11(8-13)14-9-17-5-6-18(14)15(19)12-4-7-22(20,21)10-12/h1-3,8,12,14,17H,4-7,9-10H2.
What are the key properties of [2-(3-chlorophenyl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone?
[2-(3-chlorophenyl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone has a molecular weight of 342.85 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chlorophenyl)piperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone is sourced from PubChem (CID 120802900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).