(2,3-dimethylthiomorpholin-4-yl)-(2-fluoro-5-methylphenyl)methanone

C14H18FNOS — CID 113238099

IUPAC(2,3-dimethylthiomorpholin-4-yl)-(2-fluoro-5-methylphenyl)methanone
SMILESCc1ccc(F)c(C(=O)N2CCSC(C)C2C)c1
InChIInChI=1S/C14H18FNOS/c1-9-4-5-13(15)12(8-9)14(17)16-6-7-18-11(3)10(16)2/h4-5,8,10-11H,6-7H2,1-3H3
InChIKeyAMXAWCVGFWJAGV-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.10
Rot. Bonds1

About (2,3-dimethylthiomorpholin-4-yl)-(2-fluoro-5-methylphenyl)methanone

(2,3-dimethylthiomorpholin-4-yl)-(2-fluoro-5-methylphenyl)methanone (PubChem CID 113238099) has the molecular formula C14H18FNOS and a molecular weight of 267.37 g/mol. Its IUPAC name is (2,3-dimethylthiomorpholin-4-yl)-(2-fluoro-5-methylphenyl)methanone.

Molecular Properties

Compound Name(2,3-dimethylthiomorpholin-4-yl)-(2-fluoro-5-methylphenyl)methanone
PubChem CID113238099
Molecular FormulaC14H18FNOS
Molecular Weight267.37 g/mol
Exact Mass267.11
IUPAC Name(2,3-dimethylthiomorpholin-4-yl)-(2-fluoro-5-methylphenyl)methanone
SMILESCc1ccc(F)c(C(=O)N2CCSC(C)C2C)c1
InChIInChI=1S/C14H18FNOS/c1-9-4-5-13(15)12(8-9)14(17)16-6-7-18-11(3)10(16)2/h4-5,8,10-11H,6-7H2,1-3H3
InChIKeyAMXAWCVGFWJAGV-UHFFFAOYSA-N
XLogP3.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-2-fluorophenyl)-(2,3-dimethylthiomorpholin-4-yl)methanone
CID 113238113
(2,3-dimethylthiomorpholin-4-yl)-(2-hydroxyphenyl)methanone
CID 115634458
(5-amino-2-methylphenyl)-(2,3-dimethylthiomorpholin-4-yl)methanone;hydrochloride
CID 120634085
(2-fluoro-5-methylphenyl)-(3-methyl-1,4-dithian-2-yl)methanone
CID 115385709
[2-(2,4-dimethylphenyl)-1,3-thiazolidin-3-yl]-(2-fluorophenyl)methanone
CID 42781114
(2-fluoro-5-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 62510549
(2-fluoro-5-methylphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62512522
(2,4-dimethylphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331516
azetidin-1-yl-(2-fluoro-5-methylphenyl)methanone
CID 118296976
(2-bromofuran-3-yl)-(2,3-dimethylthiomorpholin-4-yl)methanone
CID 106854402
4-(2,3-dimethylthiomorpholine-4-carbonyl)-7-fluoro-1H-quinolin-2-one
CID 71930254
(2-fluoro-5-methylphenyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 55083267

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylthiomorpholin-4-yl)-(2-fluoro-5-methylphenyl)methanone?
The IUPAC name of (2,3-dimethylthiomorpholin-4-yl)-(2-fluoro-5-methylphenyl)methanone (CID 113238099) is (2,3-dimethylthiomorpholin-4-yl)-(2-fluoro-5-methylphenyl)methanone.
What is the SMILES notation for (2,3-dimethylthiomorpholin-4-yl)-(2-fluoro-5-methylphenyl)methanone?
The canonical SMILES for (2,3-dimethylthiomorpholin-4-yl)-(2-fluoro-5-methylphenyl)methanone is Cc1ccc(F)c(C(=O)N2CCSC(C)C2C)c1.
What is the InChIKey of (2,3-dimethylthiomorpholin-4-yl)-(2-fluoro-5-methylphenyl)methanone?
The InChIKey is AMXAWCVGFWJAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNOS/c1-9-4-5-13(15)12(8-9)14(17)16-6-7-18-11(3)10(16)2/h4-5,8,10-11H,6-7H2,1-3H3.
What are the key properties of (2,3-dimethylthiomorpholin-4-yl)-(2-fluoro-5-methylphenyl)methanone?
(2,3-dimethylthiomorpholin-4-yl)-(2-fluoro-5-methylphenyl)methanone has a molecular weight of 267.37 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylthiomorpholin-4-yl)-(2-fluoro-5-methylphenyl)methanone is sourced from PubChem (CID 113238099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).