3-[(4-ethylphenyl)sulfanylmethyl]morpholine

C13H19NOS — CID 117034341

IUPAC3-[(4-ethylphenyl)sulfanylmethyl]morpholine
SMILESCCc1ccc(SCC2COCCN2)cc1
InChIInChI=1S/C13H19NOS/c1-2-11-3-5-13(6-4-11)16-10-12-9-15-8-7-14-12/h3-6,12,14H,2,7-10H2,1H3
InChIKeyIZVDWVIPWRMUBL-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.33
Rot. Bonds4

About 3-[(4-ethylphenyl)sulfanylmethyl]morpholine

3-[(4-ethylphenyl)sulfanylmethyl]morpholine (PubChem CID 117034341) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is 3-[(4-ethylphenyl)sulfanylmethyl]morpholine.

Molecular Properties

Compound Name3-[(4-ethylphenyl)sulfanylmethyl]morpholine
PubChem CID117034341
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name3-[(4-ethylphenyl)sulfanylmethyl]morpholine
SMILESCCc1ccc(SCC2COCCN2)cc1
InChIInChI=1S/C13H19NOS/c1-2-11-3-5-13(6-4-11)16-10-12-9-15-8-7-14-12/h3-6,12,14H,2,7-10H2,1H3
InChIKeyIZVDWVIPWRMUBL-UHFFFAOYSA-N
XLogP2.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,4-dimethylphenyl)sulfanylmethyl]morpholine
CID 117034338
3-[(4-chloro-3-methylphenyl)sulfanylmethyl]morpholine
CID 117034360
1-(4-ethylphenyl)-2-morpholin-3-ylethanamine
CID 116941455
4-ethylsulfanyl-N-methyl-N-(morpholin-3-ylmethyl)aniline
CID 115237955
3-[(2,5-dimethoxyphenyl)sulfanylmethyl]morpholine
CID 117034352
1-morpholin-3-yl-N-[(4-propylphenyl)methyl]methanamine
CID 115238003
N,N-dimethyl-4-(2-morpholin-3-ylethyl)aniline
CID 82290806
3-[(2,5-dimethylpyrrol-1-yl)methyl]morpholine
CID 103549624
N-[2-(4-ethylphenyl)ethyl]morpholine-3-carboxamide
CID 115177646
1-[4-(2-methylpropyl)phenyl]-2-morpholin-3-ylethanamine
CID 116941475
3-(2-phenylethyl)morpholine
CID 54013840
N-[(4-tert-butylphenyl)methyl]-1-morpholin-3-ylmethanamine
CID 115237984

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylphenyl)sulfanylmethyl]morpholine?
The IUPAC name of 3-[(4-ethylphenyl)sulfanylmethyl]morpholine (CID 117034341) is 3-[(4-ethylphenyl)sulfanylmethyl]morpholine.
What is the SMILES notation for 3-[(4-ethylphenyl)sulfanylmethyl]morpholine?
The canonical SMILES for 3-[(4-ethylphenyl)sulfanylmethyl]morpholine is CCc1ccc(SCC2COCCN2)cc1.
What is the InChIKey of 3-[(4-ethylphenyl)sulfanylmethyl]morpholine?
The InChIKey is IZVDWVIPWRMUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-2-11-3-5-13(6-4-11)16-10-12-9-15-8-7-14-12/h3-6,12,14H,2,7-10H2,1H3.
What are the key properties of 3-[(4-ethylphenyl)sulfanylmethyl]morpholine?
3-[(4-ethylphenyl)sulfanylmethyl]morpholine has a molecular weight of 237.37 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylphenyl)sulfanylmethyl]morpholine is sourced from PubChem (CID 117034341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).