3-ethylsulfanylmorpholine

C6H13NOS — CID 117034246

IUPAC3-ethylsulfanylmorpholine
SMILESCCSC1COCCN1
InChIInChI=1S/C6H13NOS/c1-2-9-6-5-8-4-3-7-6/h6-7H,2-5H2,1H3
InChIKeyMVBPIRAJGYJGBJ-UHFFFAOYSA-N
MW147.24 g/mol
LogP0.69
Rot. Bonds2

About 3-ethylsulfanylmorpholine

3-ethylsulfanylmorpholine (PubChem CID 117034246) has the molecular formula C6H13NOS and a molecular weight of 147.24 g/mol. Its IUPAC name is 3-ethylsulfanylmorpholine.

Molecular Properties

Compound Name3-ethylsulfanylmorpholine
PubChem CID117034246
Molecular FormulaC6H13NOS
Molecular Weight147.24 g/mol
Exact Mass147.07
IUPAC Name3-ethylsulfanylmorpholine
SMILESCCSC1COCCN1
InChIInChI=1S/C6H13NOS/c1-2-9-6-5-8-4-3-7-6/h6-7H,2-5H2,1H3
InChIKeyMVBPIRAJGYJGBJ-UHFFFAOYSA-N
XLogP0.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.24
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(pyrrolidin-1-ylmethylsulfanyl)morpholine
CID 57182320
3-(2-methylpropyl)morpholine
CID 20811826
3-(ethylsulfonylmethyl)morpholine
CID 84720172
N-ethyl-N-[[(3S)-morpholin-3-yl]methyl]ethanamine
CID 66723590
3-(2,3-dimethylhex-2-enyl)morpholine
CID 107889216
N-methyl-1-morpholin-3-ylbutan-2-amine
CID 116956752
ethane;(3S)-3-methylmorpholine
CID 145275253
3-methylmorpholine;hydrobromide
CID 173415172
3-(bromomethyl)morpholine
CID 70577689
(3S)-3-[(3S)-morpholin-3-yl]morpholine
CID 11693975
(3S)-3-methylmorpholine;molecular hydrogen
CID 144559073
3-[(2,5-dimethylpyrrol-1-yl)methyl]morpholine
CID 103549624

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanylmorpholine?
The IUPAC name of 3-ethylsulfanylmorpholine (CID 117034246) is 3-ethylsulfanylmorpholine.
What is the SMILES notation for 3-ethylsulfanylmorpholine?
The canonical SMILES for 3-ethylsulfanylmorpholine is CCSC1COCCN1.
What is the InChIKey of 3-ethylsulfanylmorpholine?
The InChIKey is MVBPIRAJGYJGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NOS/c1-2-9-6-5-8-4-3-7-6/h6-7H,2-5H2,1H3.
What are the key properties of 3-ethylsulfanylmorpholine?
3-ethylsulfanylmorpholine has a molecular weight of 147.24 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanylmorpholine is sourced from PubChem (CID 117034246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).