3-(3,4-dimethylphenyl)sulfanylmorpholine

C12H17NOS — CID 117034214

IUPAC3-(3,4-dimethylphenyl)sulfanylmorpholine
SMILESCc1ccc(SC2COCCN2)cc1C
InChIInChI=1S/C12H17NOS/c1-9-3-4-11(7-10(9)2)15-12-8-14-6-5-13-12/h3-4,7,12-13H,5-6,8H2,1-2H3
InChIKeyKMNHAFKVDFIFQY-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.34
Rot. Bonds2

About 3-(3,4-dimethylphenyl)sulfanylmorpholine

3-(3,4-dimethylphenyl)sulfanylmorpholine (PubChem CID 117034214) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)sulfanylmorpholine.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)sulfanylmorpholine
PubChem CID117034214
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name3-(3,4-dimethylphenyl)sulfanylmorpholine
SMILESCc1ccc(SC2COCCN2)cc1C
InChIInChI=1S/C12H17NOS/c1-9-3-4-11(7-10(9)2)15-12-8-14-6-5-13-12/h3-4,7,12-13H,5-6,8H2,1-2H3
InChIKeyKMNHAFKVDFIFQY-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylphenyl)sulfanylmorpholine
CID 117034237
3-(3,4-dichlorophenyl)sulfanylmorpholine
CID 117034223
2-(3,4-dimethylphenyl)sulfanylpyrrolidine
CID 117032994
3-[(3,4-dimethylphenyl)sulfanylmethyl]morpholine
CID 117034338
(3S)-3-(3,4-dimethylphenyl)morpholine;hydrochloride
CID 171193047
3-(2,5-dimethoxyphenyl)sulfanylmorpholine
CID 117034229
3-[(4-chloro-3-methylphenyl)sulfanylmethyl]morpholine
CID 117034360
2-(4-chloro-3-methylphenyl)sulfanylpyrrolidine
CID 117033017
N-(3,4-dimethylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670622
(3R)-3-(3-iodo-4-methylphenyl)morpholine
CID 131084695
(3R)-3-(5-bromo-2-methylphenyl)morpholine
CID 130632472
3-ethylsulfanylmorpholine
CID 117034246

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)sulfanylmorpholine?
The IUPAC name of 3-(3,4-dimethylphenyl)sulfanylmorpholine (CID 117034214) is 3-(3,4-dimethylphenyl)sulfanylmorpholine.
What is the SMILES notation for 3-(3,4-dimethylphenyl)sulfanylmorpholine?
The canonical SMILES for 3-(3,4-dimethylphenyl)sulfanylmorpholine is Cc1ccc(SC2COCCN2)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)sulfanylmorpholine?
The InChIKey is KMNHAFKVDFIFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-9-3-4-11(7-10(9)2)15-12-8-14-6-5-13-12/h3-4,7,12-13H,5-6,8H2,1-2H3.
What are the key properties of 3-(3,4-dimethylphenyl)sulfanylmorpholine?
3-(3,4-dimethylphenyl)sulfanylmorpholine has a molecular weight of 223.34 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)sulfanylmorpholine is sourced from PubChem (CID 117034214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).