3-ethyl-4-(4-methylphenyl)sulfanylazetidin-2-one

C12H15NOS — CID 154224083

IUPAC3-ethyl-4-(4-methylphenyl)sulfanylazetidin-2-one
SMILESCCC1C(=O)NC1Sc1ccc(C)cc1
InChIInChI=1S/C12H15NOS/c1-3-10-11(14)13-12(10)15-9-6-4-8(2)5-7-9/h4-7,10,12H,3H2,1-2H3,(H,13,14)
InChIKeyRXMRDGWEQDBAKQ-UHFFFAOYSA-N
MW221.32 g/mol
LogP2.57
Rot. Bonds3

About 3-ethyl-4-(4-methylphenyl)sulfanylazetidin-2-one

3-ethyl-4-(4-methylphenyl)sulfanylazetidin-2-one (PubChem CID 154224083) has the molecular formula C12H15NOS and a molecular weight of 221.32 g/mol. Its IUPAC name is 3-ethyl-4-(4-methylphenyl)sulfanylazetidin-2-one.

Molecular Properties

Compound Name3-ethyl-4-(4-methylphenyl)sulfanylazetidin-2-one
PubChem CID154224083
Molecular FormulaC12H15NOS
Molecular Weight221.32 g/mol
Exact Mass221.09
IUPAC Name3-ethyl-4-(4-methylphenyl)sulfanylazetidin-2-one
SMILESCCC1C(=O)NC1Sc1ccc(C)cc1
InChIInChI=1S/C12H15NOS/c1-3-10-11(14)13-12(10)15-9-6-4-8(2)5-7-9/h4-7,10,12H,3H2,1-2H3,(H,13,14)
InChIKeyRXMRDGWEQDBAKQ-UHFFFAOYSA-N
XLogP2.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methylphenyl)sulfanylcyclohexan-1-one
CID 10331073
1-cyclopropylsulfanyl-4-methylbenzene
CID 12836423
(2R,3S,5R,6S)-3,5-diethyl-2,6-bis(4-methylphenyl)piperidin-4-one
CID 11013097
(3R,4S)-3-ethyl-4-prop-2-enylsulfanylazetidin-2-one
CID 131227250
(3S,4S)-3-ethyl-4-phenylazetidin-2-one
CID 7056749
(3S)-2-(4-methylphenyl)sulfanylpiperidine-3-carboxamide
CID 163599771
3,5-dimethyl-4-(4-methylphenyl)sulfanylpyrazolidine
CID 138059061
trans-(1R,2R)-2-(4-methylphenyl)sulfanylcyclobutan-1-ol
CID 12791403
6-(4-methylphenyl)sulfanylcyclohex-2-en-1-one
CID 170557579
S-(4-methylphenyl) (4R,5S)-5-methyl-2-oxo-1,3-oxazolidine-4-carbothioate
CID 101446378
2-(4-methylphenyl)sulfanylcyclobutane-1-carboxylic acid
CID 80997112
4-ethyl-2-(4-methylphenyl)-5-(trifluoromethyl)pyrazolidin-3-one
CID 141453692

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(4-methylphenyl)sulfanylazetidin-2-one?
The IUPAC name of 3-ethyl-4-(4-methylphenyl)sulfanylazetidin-2-one (CID 154224083) is 3-ethyl-4-(4-methylphenyl)sulfanylazetidin-2-one.
What is the SMILES notation for 3-ethyl-4-(4-methylphenyl)sulfanylazetidin-2-one?
The canonical SMILES for 3-ethyl-4-(4-methylphenyl)sulfanylazetidin-2-one is CCC1C(=O)NC1Sc1ccc(C)cc1.
What is the InChIKey of 3-ethyl-4-(4-methylphenyl)sulfanylazetidin-2-one?
The InChIKey is RXMRDGWEQDBAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1-3-10-11(14)13-12(10)15-9-6-4-8(2)5-7-9/h4-7,10,12H,3H2,1-2H3,(H,13,14).
What are the key properties of 3-ethyl-4-(4-methylphenyl)sulfanylazetidin-2-one?
3-ethyl-4-(4-methylphenyl)sulfanylazetidin-2-one has a molecular weight of 221.32 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(4-methylphenyl)sulfanylazetidin-2-one is sourced from PubChem (CID 154224083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).