2-(2-chlorophenyl)sulfanyl-3-methyl-1-morpholin-4-ylbutan-1-one

C15H20ClNO2S — CID 86921488

IUPAC2-(2-chlorophenyl)sulfanyl-3-methyl-1-morpholin-4-ylbutan-1-one
SMILESCC(C)C(Sc1ccccc1Cl)C(=O)N1CCOCC1
InChIInChI=1S/C15H20ClNO2S/c1-11(2)14(15(18)17-7-9-19-10-8-17)20-13-6-4-3-5-12(13)16/h3-6,11,14H,7-10H2,1-2H3
InChIKeyRTKPWQXSBMVNDA-UHFFFAOYSA-N
MW313.85 g/mol
LogP3.32
Rot. Bonds4

About 2-(2-chlorophenyl)sulfanyl-3-methyl-1-morpholin-4-ylbutan-1-one

2-(2-chlorophenyl)sulfanyl-3-methyl-1-morpholin-4-ylbutan-1-one (PubChem CID 86921488) has the molecular formula C15H20ClNO2S and a molecular weight of 313.85 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-3-methyl-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-3-methyl-1-morpholin-4-ylbutan-1-one
PubChem CID86921488
Molecular FormulaC15H20ClNO2S
Molecular Weight313.85 g/mol
Exact Mass313.09
IUPAC Name2-(2-chlorophenyl)sulfanyl-3-methyl-1-morpholin-4-ylbutan-1-one
SMILESCC(C)C(Sc1ccccc1Cl)C(=O)N1CCOCC1
InChIInChI=1S/C15H20ClNO2S/c1-11(2)14(15(18)17-7-9-19-10-8-17)20-13-6-4-3-5-12(13)16/h3-6,11,14H,7-10H2,1-2H3
InChIKeyRTKPWQXSBMVNDA-UHFFFAOYSA-N
XLogP3.32
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.85
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-morpholin-4-yl-2-(1-oxidopyridin-1-ium-2-yl)sulfanylbutan-1-one
CID 75362358
3-methyl-1-morpholin-4-yl-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]butan-1-one
CID 71898701
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81377372
2-chloro-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzenesulfonamide
CID 110348840
1-(4-aminopiperidin-1-yl)-2-(2-chlorophenyl)sulfanylpropan-1-one
CID 119376277
2-(2-chlorophenyl)sulfanyl-1-(1,4-diazepan-1-yl)propan-1-one
CID 119417993
2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanyl-3-methyl-1-morpholin-4-ylbutan-1-one
CID 167859315
N-[1-(2-chlorophenyl)ethyl]morpholine-4-carboxamide
CID 115575696
2-[[5-(2-chloroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-morpholin-4-ylpropan-1-one
CID 17406320
2-(2,6-dichlorophenyl)-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide
CID 94799087
N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide
CID 78777337
2-chloro-2-(3-chloro-4-methylphenyl)-1-morpholin-4-ylethanone
CID 106818467

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-3-methyl-1-morpholin-4-ylbutan-1-one?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-3-methyl-1-morpholin-4-ylbutan-1-one (CID 86921488) is 2-(2-chlorophenyl)sulfanyl-3-methyl-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-3-methyl-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-3-methyl-1-morpholin-4-ylbutan-1-one is CC(C)C(Sc1ccccc1Cl)C(=O)N1CCOCC1.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-3-methyl-1-morpholin-4-ylbutan-1-one?
The InChIKey is RTKPWQXSBMVNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2S/c1-11(2)14(15(18)17-7-9-19-10-8-17)20-13-6-4-3-5-12(13)16/h3-6,11,14H,7-10H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-3-methyl-1-morpholin-4-ylbutan-1-one?
2-(2-chlorophenyl)sulfanyl-3-methyl-1-morpholin-4-ylbutan-1-one has a molecular weight of 313.85 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-3-methyl-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 86921488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).