3-[(2-ethylthiomorpholin-4-yl)methyl]oxan-4-ol

C12H23NO2S — CID 103061771

IUPAC3-[(2-ethylthiomorpholin-4-yl)methyl]oxan-4-ol
SMILESCCC1CN(CC2COCCC2O)CCS1
InChIInChI=1S/C12H23NO2S/c1-2-11-8-13(4-6-16-11)7-10-9-15-5-3-12(10)14/h10-12,14H,2-9H2,1H3
InChIKeyHGWTWQQDCTYQRE-UHFFFAOYSA-N
MW245.39 g/mol
LogP1.21
Rot. Bonds3

About 3-[(2-ethylthiomorpholin-4-yl)methyl]oxan-4-ol

3-[(2-ethylthiomorpholin-4-yl)methyl]oxan-4-ol (PubChem CID 103061771) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is 3-[(2-ethylthiomorpholin-4-yl)methyl]oxan-4-ol.

Molecular Properties

Compound Name3-[(2-ethylthiomorpholin-4-yl)methyl]oxan-4-ol
PubChem CID103061771
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Name3-[(2-ethylthiomorpholin-4-yl)methyl]oxan-4-ol
SMILESCCC1CN(CC2COCCC2O)CCS1
InChIInChI=1S/C12H23NO2S/c1-2-11-8-13(4-6-16-11)7-10-9-15-5-3-12(10)14/h10-12,14H,2-9H2,1H3
InChIKeyHGWTWQQDCTYQRE-UHFFFAOYSA-N
XLogP1.21
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-ethylmorpholin-4-yl)methyl]oxan-4-ol
CID 103061280
3-[(4-ethylpiperazin-1-yl)methyl]oxan-4-ol
CID 103061129
1-[(4-hydroxyoxan-3-yl)methyl]pyrrolidine-3,4-diol
CID 106674242
3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]oxan-4-ol
CID 103061639
3-[(4-tert-butylpiperidin-1-yl)methyl]oxan-4-ol
CID 103061324
3-[(4-cyclopropylpiperazin-1-yl)methyl]oxan-4-ol
CID 103061499
3-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)oxan-4-ol
CID 103061636
N-methyl-3-[(2-methylthiomorpholin-4-yl)methyl]oxan-4-amine
CID 103060877
3-[(4-cyclopentylpiperazin-1-yl)methyl]oxan-4-ol
CID 103061519
3-[(2,5-dimethylpiperidin-1-yl)methyl]oxan-4-ol
CID 103061657
(2R)-1-(2-ethylthiomorpholin-4-yl)propan-2-ol
CID 106932899
3-[(2-ethylthiomorpholin-4-yl)methyl]pentan-3-ol
CID 115927904

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethylthiomorpholin-4-yl)methyl]oxan-4-ol?
The IUPAC name of 3-[(2-ethylthiomorpholin-4-yl)methyl]oxan-4-ol (CID 103061771) is 3-[(2-ethylthiomorpholin-4-yl)methyl]oxan-4-ol.
What is the SMILES notation for 3-[(2-ethylthiomorpholin-4-yl)methyl]oxan-4-ol?
The canonical SMILES for 3-[(2-ethylthiomorpholin-4-yl)methyl]oxan-4-ol is CCC1CN(CC2COCCC2O)CCS1.
What is the InChIKey of 3-[(2-ethylthiomorpholin-4-yl)methyl]oxan-4-ol?
The InChIKey is HGWTWQQDCTYQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-2-11-8-13(4-6-16-11)7-10-9-15-5-3-12(10)14/h10-12,14H,2-9H2,1H3.
What are the key properties of 3-[(2-ethylthiomorpholin-4-yl)methyl]oxan-4-ol?
3-[(2-ethylthiomorpholin-4-yl)methyl]oxan-4-ol has a molecular weight of 245.39 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethylthiomorpholin-4-yl)methyl]oxan-4-ol is sourced from PubChem (CID 103061771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).