(2S)-2-(4-methoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one

C14H19NO3S — CID 28632965

IUPAC(2S)-2-(4-methoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one
SMILESCOc1ccc(S[C@@H](C)C(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H19NO3S/c1-11(14(16)15-7-9-18-10-8-15)19-13-5-3-12(17-2)4-6-13/h3-6,11H,7-10H2,1-2H3/t11-/m0/s1
InChIKeyISCARFZRXMJLDO-NSHDSACASA-N
MW281.38 g/mol
LogP2.03
Rot. Bonds4

About (2S)-2-(4-methoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one

(2S)-2-(4-methoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one (PubChem CID 28632965) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is (2S)-2-(4-methoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-(4-methoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one
PubChem CID28632965
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name(2S)-2-(4-methoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one
SMILESCOc1ccc(S[C@@H](C)C(=O)N2CCOCC2)cc1
InChIInChI=1S/C14H19NO3S/c1-11(14(16)15-7-9-18-10-8-15)19-13-5-3-12(17-2)4-6-13/h3-6,11H,7-10H2,1-2H3/t11-/m0/s1
InChIKeyISCARFZRXMJLDO-NSHDSACASA-N
XLogP2.03
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)sulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 132760012
2-(3,4-dimethoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one
CID 43885604
(2R)-2-(4-chlorophenyl)sulfanyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 987992
(2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one
CID 7759872
(2S)-2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-morpholin-4-ylpropan-1-one
CID 51683488
2-(4-methoxyphenyl)sulfanyl-N-(2-morpholin-4-ylethyl)propanamide
CID 46772645
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-methoxyphenyl)sulfanylpropan-1-one
CID 119621716
2-(3,4-dimethoxyphenyl)sulfanyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 46771977
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(4-methoxyphenyl)sulfanylpropan-1-one
CID 120815924
(2R)-2-[[5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylpropan-1-one
CID 52515000
2-(4-amino-2-methoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one
CID 79830536
(8aS)-7-[(2S)-2-(4-methoxyphenyl)sulfanylpropanoyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 96999938

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one?
The IUPAC name of (2S)-2-(4-methoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one (CID 28632965) is (2S)-2-(4-methoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for (2S)-2-(4-methoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for (2S)-2-(4-methoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one is COc1ccc(S[C@@H](C)C(=O)N2CCOCC2)cc1.
What is the InChIKey of (2S)-2-(4-methoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one?
The InChIKey is ISCARFZRXMJLDO-NSHDSACASA-N. The full InChI is InChI=1S/C14H19NO3S/c1-11(14(16)15-7-9-18-10-8-15)19-13-5-3-12(17-2)4-6-13/h3-6,11H,7-10H2,1-2H3/t11-/m0/s1.
What are the key properties of (2S)-2-(4-methoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one?
(2S)-2-(4-methoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one has a molecular weight of 281.38 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methoxyphenyl)sulfanyl-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 28632965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).