(1,1-dioxothiazetidin-2-yl)-(4-methylphenyl)methanone

C10H11NO3S — CID 171107818

IUPAC(1,1-dioxothiazetidin-2-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCS2(=O)=O)cc1
InChIInChI=1S/C10H11NO3S/c1-8-2-4-9(5-3-8)10(12)11-6-7-15(11,13)14/h2-5H,6-7H2,1H3
InChIKeyGQDCXYIOUKIABI-UHFFFAOYSA-N
MW225.27 g/mol
LogP0.78
Rot. Bonds1

About (1,1-dioxothiazetidin-2-yl)-(4-methylphenyl)methanone

(1,1-dioxothiazetidin-2-yl)-(4-methylphenyl)methanone (PubChem CID 171107818) has the molecular formula C10H11NO3S and a molecular weight of 225.27 g/mol. Its IUPAC name is (1,1-dioxothiazetidin-2-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(1,1-dioxothiazetidin-2-yl)-(4-methylphenyl)methanone
PubChem CID171107818
Molecular FormulaC10H11NO3S
Molecular Weight225.27 g/mol
Exact Mass225.05
IUPAC Name(1,1-dioxothiazetidin-2-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCS2(=O)=O)cc1
InChIInChI=1S/C10H11NO3S/c1-8-2-4-9(5-3-8)10(12)11-6-7-15(11,13)14/h2-5H,6-7H2,1H3
InChIKeyGQDCXYIOUKIABI-UHFFFAOYSA-N
XLogP0.78
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-(4-methylphenyl)ethanone
CID 43797011
ethane;(4-methylphenyl)-piperidin-1-ylmethanone
CID 142182120
(4-methylphenyl)-piperazin-4-ium-1-ylmethanone
CID 7016653
(4-aminopiperazin-1-yl)-(4-methylphenyl)methanone
CID 82285874
(4-methylphenyl)-pyrrolidin-1-ylmethanone;propane
CID 143994279
2-[4-(4-methylbenzoyl)piperazin-1-yl]acetic acid
CID 2050629
(3,5-dimethylpiperidin-1-yl)-(4-methylphenyl)methanone
CID 3113347
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
[4-(4-methylanilino)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 58968593
2-methyl-1-[4-(4-methylbenzoyl)piperazin-1-yl]propan-1-one
CID 110365423
N-methyl-1,1-dioxo-N-phenylthiazetidine-2-carboxamide
CID 11107463
(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-(4-methylphenyl)methanone
CID 121451670

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxothiazetidin-2-yl)-(4-methylphenyl)methanone?
The IUPAC name of (1,1-dioxothiazetidin-2-yl)-(4-methylphenyl)methanone (CID 171107818) is (1,1-dioxothiazetidin-2-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (1,1-dioxothiazetidin-2-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (1,1-dioxothiazetidin-2-yl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCS2(=O)=O)cc1.
What is the InChIKey of (1,1-dioxothiazetidin-2-yl)-(4-methylphenyl)methanone?
The InChIKey is GQDCXYIOUKIABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3S/c1-8-2-4-9(5-3-8)10(12)11-6-7-15(11,13)14/h2-5H,6-7H2,1H3.
What are the key properties of (1,1-dioxothiazetidin-2-yl)-(4-methylphenyl)methanone?
(1,1-dioxothiazetidin-2-yl)-(4-methylphenyl)methanone has a molecular weight of 225.27 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxothiazetidin-2-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 171107818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).