3-[(3,4-dimethylphenyl)sulfanylmethyl]morpholine

C13H19NOS — CID 117034338

IUPAC3-[(3,4-dimethylphenyl)sulfanylmethyl]morpholine
SMILESCc1ccc(SCC2COCCN2)cc1C
InChIInChI=1S/C13H19NOS/c1-10-3-4-13(7-11(10)2)16-9-12-8-15-6-5-14-12/h3-4,7,12,14H,5-6,8-9H2,1-2H3
InChIKeyNIMOZSMYQLRBTL-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.38
Rot. Bonds3

About 3-[(3,4-dimethylphenyl)sulfanylmethyl]morpholine

3-[(3,4-dimethylphenyl)sulfanylmethyl]morpholine (PubChem CID 117034338) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 3-[(3,4-dimethylphenyl)sulfanylmethyl]morpholine.

Molecular Properties

Compound Name3-[(3,4-dimethylphenyl)sulfanylmethyl]morpholine
PubChem CID117034338
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name3-[(3,4-dimethylphenyl)sulfanylmethyl]morpholine
SMILESCc1ccc(SCC2COCCN2)cc1C
InChIInChI=1S/C13H19NOS/c1-10-3-4-13(7-11(10)2)16-9-12-8-15-6-5-14-12/h3-4,7,12,14H,5-6,8-9H2,1-2H3
InChIKeyNIMOZSMYQLRBTL-UHFFFAOYSA-N
XLogP2.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-chloro-3-methylphenyl)sulfanylmethyl]morpholine
CID 117034360
3-[(4-ethylphenyl)sulfanylmethyl]morpholine
CID 117034341
3-(3,4-dimethylphenyl)sulfanylmorpholine
CID 117034214
3-[(2,5-dimethoxyphenyl)sulfanylmethyl]morpholine
CID 117034352
3-[2-(4-methoxy-3-methylphenyl)ethyl]morpholine
CID 116928186
(3S)-3-(3,4-dimethylphenyl)morpholine;hydrochloride
CID 171193047
3-[(2,5-dimethylpyrrol-1-yl)methyl]morpholine
CID 103549624
3-[2-(3-fluoro-4-methylphenyl)ethyl]morpholine
CID 104704060
3-[(2-methoxy-5-methylphenyl)methyl]morpholine
CID 82286569
4,7-dimethyl-2-(morpholin-3-ylmethyl)isoindole-1,3-dione
CID 103549560
4-ethylsulfanyl-N-methyl-N-(morpholin-3-ylmethyl)aniline
CID 115237955
3-[(4-tert-butyl-2-methylphenyl)methyl]morpholine
CID 116927963

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethylphenyl)sulfanylmethyl]morpholine?
The IUPAC name of 3-[(3,4-dimethylphenyl)sulfanylmethyl]morpholine (CID 117034338) is 3-[(3,4-dimethylphenyl)sulfanylmethyl]morpholine.
What is the SMILES notation for 3-[(3,4-dimethylphenyl)sulfanylmethyl]morpholine?
The canonical SMILES for 3-[(3,4-dimethylphenyl)sulfanylmethyl]morpholine is Cc1ccc(SCC2COCCN2)cc1C.
What is the InChIKey of 3-[(3,4-dimethylphenyl)sulfanylmethyl]morpholine?
The InChIKey is NIMOZSMYQLRBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-10-3-4-13(7-11(10)2)16-9-12-8-15-6-5-14-12/h3-4,7,12,14H,5-6,8-9H2,1-2H3.
What are the key properties of 3-[(3,4-dimethylphenyl)sulfanylmethyl]morpholine?
3-[(3,4-dimethylphenyl)sulfanylmethyl]morpholine has a molecular weight of 237.37 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethylphenyl)sulfanylmethyl]morpholine is sourced from PubChem (CID 117034338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).