[4-(benzenesulfonyl)piperazin-1-yl]-[(3S)-1,1-dioxothiolan-3-yl]methanone

C15H20N2O5S2 — CID 9087043

IUPAC[4-(benzenesulfonyl)piperazin-1-yl]-[(3S)-1,1-dioxothiolan-3-yl]methanone
SMILESO=C([C@@H]1CCS(=O)(=O)C1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C15H20N2O5S2/c18-15(13-6-11-23(19,20)12-13)16-7-9-17(10-8-16)24(21,22)14-4-2-1-3-5-14/h1-5,13H,6-12H2/t13-/m1/s1
InChIKeyDMSXMOGVDXCUAR-CYBMUJFWSA-N
MW372.47 g/mol
LogP-0.05
Rot. Bonds3

About [4-(benzenesulfonyl)piperazin-1-yl]-[(3S)-1,1-dioxothiolan-3-yl]methanone

[4-(benzenesulfonyl)piperazin-1-yl]-[(3S)-1,1-dioxothiolan-3-yl]methanone (PubChem CID 9087043) has the molecular formula C15H20N2O5S2 and a molecular weight of 372.47 g/mol. Its IUPAC name is [4-(benzenesulfonyl)piperazin-1-yl]-[(3S)-1,1-dioxothiolan-3-yl]methanone.

Molecular Properties

Compound Name[4-(benzenesulfonyl)piperazin-1-yl]-[(3S)-1,1-dioxothiolan-3-yl]methanone
PubChem CID9087043
Molecular FormulaC15H20N2O5S2
Molecular Weight372.47 g/mol
Exact Mass372.08
IUPAC Name[4-(benzenesulfonyl)piperazin-1-yl]-[(3S)-1,1-dioxothiolan-3-yl]methanone
SMILESO=C([C@@H]1CCS(=O)(=O)C1)N1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C15H20N2O5S2/c18-15(13-6-11-23(19,20)12-13)16-7-9-17(10-8-16)24(21,22)14-4-2-1-3-5-14/h1-5,13H,6-12H2/t13-/m1/s1
InChIKeyDMSXMOGVDXCUAR-CYBMUJFWSA-N
XLogP-0.05
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(benzenesulfonyl)piperazin-1-yl]-[(3R)-1,1-dioxothiolan-3-yl]methanone
CID 9087044
[4-(benzenesulfonyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
CID 55712585
[4-(benzenesulfonyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 26020158
[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]-(1,1-dioxothiolan-3-yl)methanone
CID 55414937
aziridin-1-yl-(1,1-dioxothiolan-3-yl)methanone
CID 130667300
[(3R)-1,1-dioxothiolan-3-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 95601653
[4-(benzenesulfonyl)piperazin-1-yl]-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanone
CID 45017329
cyclopropyl-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone
CID 110817571
[4-[1-(benzenesulfonyl)piperidine-2-carbonyl]piperazin-1-yl]-cyclopentylmethanone
CID 55567553
[4-(benzenesulfonyl)piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 119678305
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[1-(benzenesulfonyl)piperidin-4-yl]methanone
CID 2315531
1-[4-(1,1-dioxothiolane-3-carbonyl)piperazin-1-yl]-2-phenylbutan-1-one
CID 46448850

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-[(3S)-1,1-dioxothiolan-3-yl]methanone?
The IUPAC name of [4-(benzenesulfonyl)piperazin-1-yl]-[(3S)-1,1-dioxothiolan-3-yl]methanone (CID 9087043) is [4-(benzenesulfonyl)piperazin-1-yl]-[(3S)-1,1-dioxothiolan-3-yl]methanone.
What is the SMILES notation for [4-(benzenesulfonyl)piperazin-1-yl]-[(3S)-1,1-dioxothiolan-3-yl]methanone?
The canonical SMILES for [4-(benzenesulfonyl)piperazin-1-yl]-[(3S)-1,1-dioxothiolan-3-yl]methanone is O=C([C@@H]1CCS(=O)(=O)C1)N1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of [4-(benzenesulfonyl)piperazin-1-yl]-[(3S)-1,1-dioxothiolan-3-yl]methanone?
The InChIKey is DMSXMOGVDXCUAR-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N2O5S2/c18-15(13-6-11-23(19,20)12-13)16-7-9-17(10-8-16)24(21,22)14-4-2-1-3-5-14/h1-5,13H,6-12H2/t13-/m1/s1.
What are the key properties of [4-(benzenesulfonyl)piperazin-1-yl]-[(3S)-1,1-dioxothiolan-3-yl]methanone?
[4-(benzenesulfonyl)piperazin-1-yl]-[(3S)-1,1-dioxothiolan-3-yl]methanone has a molecular weight of 372.47 g/mol, XLogP of -0.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(benzenesulfonyl)piperazin-1-yl]-[(3S)-1,1-dioxothiolan-3-yl]methanone is sourced from PubChem (CID 9087043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).