3-(3-methylphenyl)sulfanylmorpholine

C11H15NOS — CID 117034237

IUPAC3-(3-methylphenyl)sulfanylmorpholine
SMILESCc1cccc(SC2COCCN2)c1
InChIInChI=1S/C11H15NOS/c1-9-3-2-4-10(7-9)14-11-8-13-6-5-12-11/h2-4,7,11-12H,5-6,8H2,1H3
InChIKeyKZTOZZKLGNXSRI-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.03
Rot. Bonds2

About 3-(3-methylphenyl)sulfanylmorpholine

3-(3-methylphenyl)sulfanylmorpholine (PubChem CID 117034237) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 3-(3-methylphenyl)sulfanylmorpholine.

Molecular Properties

Compound Name3-(3-methylphenyl)sulfanylmorpholine
PubChem CID117034237
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name3-(3-methylphenyl)sulfanylmorpholine
SMILESCc1cccc(SC2COCCN2)c1
InChIInChI=1S/C11H15NOS/c1-9-3-2-4-10(7-9)14-11-8-13-6-5-12-11/h2-4,7,11-12H,5-6,8H2,1H3
InChIKeyKZTOZZKLGNXSRI-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethylphenyl)sulfanylmorpholine
CID 117034214
3-(3,4-dichlorophenyl)sulfanylmorpholine
CID 117034223
3-(2,5-dimethoxyphenyl)sulfanylmorpholine
CID 117034229
1-(3-methylphenyl)-2-morpholin-3-ylethanamine
CID 116941527
N-(3-methylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670415
(3S)-3-(2-bromo-4-methylphenyl)morpholine;hydrochloride
CID 171193090
N-[(3-methylphenyl)methyl]-2-morpholin-3-ylethanamine
CID 115238968
3-(2,6-dimethylphenyl)morpholine
CID 55298000
2-(3-methylphenyl)sulfanyl-1-(oxolan-3-yl)ethanone
CID 66087155
N-methyl-N-[2-(3-methylphenyl)ethyl]-2-morpholin-3-ylethanamine
CID 115239044
S-(3-methylphenyl)thiohydroxylamine;pentahydrofluoride
CID 173046661
3-(6-methylnaphthalen-2-yl)morpholine
CID 116963155

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)sulfanylmorpholine?
The IUPAC name of 3-(3-methylphenyl)sulfanylmorpholine (CID 117034237) is 3-(3-methylphenyl)sulfanylmorpholine.
What is the SMILES notation for 3-(3-methylphenyl)sulfanylmorpholine?
The canonical SMILES for 3-(3-methylphenyl)sulfanylmorpholine is Cc1cccc(SC2COCCN2)c1.
What is the InChIKey of 3-(3-methylphenyl)sulfanylmorpholine?
The InChIKey is KZTOZZKLGNXSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-9-3-2-4-10(7-9)14-11-8-13-6-5-12-11/h2-4,7,11-12H,5-6,8H2,1H3.
What are the key properties of 3-(3-methylphenyl)sulfanylmorpholine?
3-(3-methylphenyl)sulfanylmorpholine has a molecular weight of 209.31 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)sulfanylmorpholine is sourced from PubChem (CID 117034237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).