(3R)-3-(3-methoxyphenyl)thiomorpholine

C11H15NOS — CID 51401832

IUPAC(3R)-3-(3-methoxyphenyl)thiomorpholine
SMILESCOc1cccc([C@@H]2CSCCN2)c1
InChIInChI=1S/C11H15NOS/c1-13-10-4-2-3-9(7-10)11-8-14-6-5-12-11/h2-4,7,11-12H,5-6,8H2,1H3/t11-/m0/s1
InChIKeyLETNFDFQIZLGNU-NSHDSACASA-N
MW209.31 g/mol
LogP2.07
Rot. Bonds2

About (3R)-3-(3-methoxyphenyl)thiomorpholine

(3R)-3-(3-methoxyphenyl)thiomorpholine (PubChem CID 51401832) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is (3R)-3-(3-methoxyphenyl)thiomorpholine.

Molecular Properties

Compound Name(3R)-3-(3-methoxyphenyl)thiomorpholine
PubChem CID51401832
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name(3R)-3-(3-methoxyphenyl)thiomorpholine
SMILESCOc1cccc([C@@H]2CSCCN2)c1
InChIInChI=1S/C11H15NOS/c1-13-10-4-2-3-9(7-10)11-8-14-6-5-12-11/h2-4,7,11-12H,5-6,8H2,1H3/t11-/m0/s1
InChIKeyLETNFDFQIZLGNU-NSHDSACASA-N
XLogP2.07
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(3-methoxyphenyl)morpholine
CID 42183281
3-pyridin-3-ylthiomorpholine
CID 3873279
(3S)-3-pyridin-3-ylthiomorpholine
CID 26369463
methyl 5-(3-methoxyphenyl)thiomorpholine-3-carboxylate
CID 65171376
(2S,4S)-2-(3-methoxyphenyl)-4-methylpyrrolidine
CID 82403223
2-(3-methoxyphenyl)-4,4-dimethylpyrrolidine
CID 83638655
3-(4-ethoxyphenyl)thiomorpholine
CID 54164455
(2R,5S)-2-(3-methoxyphenyl)-5-methylpiperidine
CID 169114751
2-(3-methoxyphenyl)thiomorpholin-3-one
CID 14169391
ethane;1-[3-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 142506558
(6S)-6-(3-methoxyphenyl)-3-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 93181083
2-(3-methoxyphenyl)-1,3-dithiane
CID 11276210

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-methoxyphenyl)thiomorpholine?
The IUPAC name of (3R)-3-(3-methoxyphenyl)thiomorpholine (CID 51401832) is (3R)-3-(3-methoxyphenyl)thiomorpholine.
What is the SMILES notation for (3R)-3-(3-methoxyphenyl)thiomorpholine?
The canonical SMILES for (3R)-3-(3-methoxyphenyl)thiomorpholine is COc1cccc([C@@H]2CSCCN2)c1.
What is the InChIKey of (3R)-3-(3-methoxyphenyl)thiomorpholine?
The InChIKey is LETNFDFQIZLGNU-NSHDSACASA-N. The full InChI is InChI=1S/C11H15NOS/c1-13-10-4-2-3-9(7-10)11-8-14-6-5-12-11/h2-4,7,11-12H,5-6,8H2,1H3/t11-/m0/s1.
What are the key properties of (3R)-3-(3-methoxyphenyl)thiomorpholine?
(3R)-3-(3-methoxyphenyl)thiomorpholine has a molecular weight of 209.31 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-methoxyphenyl)thiomorpholine is sourced from PubChem (CID 51401832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).