(2,4-dichlorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone

C11H11Cl2NO2S — CID 110721545

IUPAC(2,4-dichlorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCS(=O)CC1
InChIInChI=1S/C11H11Cl2NO2S/c12-8-1-2-9(10(13)7-8)11(15)14-3-5-17(16)6-4-14/h1-2,7H,3-6H2
InChIKeyAQENBCHMJKPHSW-UHFFFAOYSA-N
MW292.19 g/mol
LogP2.20
Rot. Bonds1

About (2,4-dichlorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone

(2,4-dichlorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone (PubChem CID 110721545) has the molecular formula C11H11Cl2NO2S and a molecular weight of 292.19 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
PubChem CID110721545
Molecular FormulaC11H11Cl2NO2S
Molecular Weight292.19 g/mol
Exact Mass290.99
IUPAC Name(2,4-dichlorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCS(=O)CC1
InChIInChI=1S/C11H11Cl2NO2S/c12-8-1-2-9(10(13)7-8)11(15)14-3-5-17(16)6-4-14/h1-2,7H,3-6H2
InChIKeyAQENBCHMJKPHSW-UHFFFAOYSA-N
XLogP2.20
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.19
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 24690626
4-(2,4-dichlorobenzoyl)piperazine-1-carbothioamide
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[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-(4-hydroxyphenyl)methanone
CID 2050587
(4-aminopiperidin-1-yl)-(2,4-dichlorophenyl)methanone;hydrochloride
CID 119376590
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 108569544
(2,4-dichlorophenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671362
4-(2,4-dichlorobenzoyl)piperazine-2,6-dione
CID 66085866
[4-(2-bromobenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone
CID 55660753
1-(2,4-dichlorobenzoyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251616
4-(2,4-dichlorobenzoyl)piperazin-2-one
CID 30288935
3-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-oxopropanoate
CID 2050573
1-(2,4-dichlorobenzoyl)-1,4-diazepan-5-one
CID 55027869

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
The IUPAC name of (2,4-dichlorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone (CID 110721545) is (2,4-dichlorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
The canonical SMILES for (2,4-dichlorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone is O=C(c1ccc(Cl)cc1Cl)N1CCS(=O)CC1.
What is the InChIKey of (2,4-dichlorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
The InChIKey is AQENBCHMJKPHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO2S/c12-8-1-2-9(10(13)7-8)11(15)14-3-5-17(16)6-4-14/h1-2,7H,3-6H2.
What are the key properties of (2,4-dichlorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone?
(2,4-dichlorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone has a molecular weight of 292.19 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-(1-oxo-1,4-thiazinan-4-yl)methanone is sourced from PubChem (CID 110721545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).