1-(4-methylthiomorpholin-3-yl)-3-(oxolan-2-yl)propan-1-ol

C12H23NO2S — CID 103595653

IUPAC1-(4-methylthiomorpholin-3-yl)-3-(oxolan-2-yl)propan-1-ol
SMILESCN1CCSCC1C(O)CCC1CCCO1
InChIInChI=1S/C12H23NO2S/c1-13-6-8-16-9-11(13)12(14)5-4-10-3-2-7-15-10/h10-12,14H,2-9H2,1H3
InChIKeyAHSWJQDNNFWYTL-UHFFFAOYSA-N
MW245.39 g/mol
LogP1.35
Rot. Bonds4

About 1-(4-methylthiomorpholin-3-yl)-3-(oxolan-2-yl)propan-1-ol

1-(4-methylthiomorpholin-3-yl)-3-(oxolan-2-yl)propan-1-ol (PubChem CID 103595653) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is 1-(4-methylthiomorpholin-3-yl)-3-(oxolan-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4-methylthiomorpholin-3-yl)-3-(oxolan-2-yl)propan-1-ol
PubChem CID103595653
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Name1-(4-methylthiomorpholin-3-yl)-3-(oxolan-2-yl)propan-1-ol
SMILESCN1CCSCC1C(O)CCC1CCCO1
InChIInChI=1S/C12H23NO2S/c1-13-6-8-16-9-11(13)12(14)5-4-10-3-2-7-15-10/h10-12,14H,2-9H2,1H3
InChIKeyAHSWJQDNNFWYTL-UHFFFAOYSA-N
XLogP1.35
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(oxolan-2-yl)-1-(thiolan-3-yl)propan-1-ol
CID 105105032
1-(4-methylthiomorpholin-3-yl)-4-(oxolan-2-yl)butan-1-one
CID 103595383
1-cyclohexyl-3-(oxan-2-yl)propan-1-ol
CID 115802147
1-(oxolan-2-yl)heptane-3,4-diol
CID 103454796
[1-(1,4-dimethyl-1,4-diazepan-2-yl)-3-(oxolan-2-yl)propyl]hydrazine
CID 105261230
1-(4-methylthiomorpholin-3-yl)-2-propoxyethanol
CID 103595498
(2R)-4-[(2R)-oxan-2-yl]butan-2-ol
CID 11171126
acetic acid;1-(oxolan-2-yl)pentan-3-ol
CID 57353713
4-(azepan-1-yl)-4-methyl-1-(oxolan-2-yl)pentan-3-ol
CID 79051804
4-methyl-1-(oxolan-2-yl)hexan-3-ol
CID 65162291
5,5-dimethyl-1-(oxolan-2-yl)hexane-3,4-diol
CID 103457082
1-(2-methylpropylsulfanyl)-4-(oxolan-2-yl)butan-2-ol
CID 65167329

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylthiomorpholin-3-yl)-3-(oxolan-2-yl)propan-1-ol?
The IUPAC name of 1-(4-methylthiomorpholin-3-yl)-3-(oxolan-2-yl)propan-1-ol (CID 103595653) is 1-(4-methylthiomorpholin-3-yl)-3-(oxolan-2-yl)propan-1-ol.
What is the SMILES notation for 1-(4-methylthiomorpholin-3-yl)-3-(oxolan-2-yl)propan-1-ol?
The canonical SMILES for 1-(4-methylthiomorpholin-3-yl)-3-(oxolan-2-yl)propan-1-ol is CN1CCSCC1C(O)CCC1CCCO1.
What is the InChIKey of 1-(4-methylthiomorpholin-3-yl)-3-(oxolan-2-yl)propan-1-ol?
The InChIKey is AHSWJQDNNFWYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-13-6-8-16-9-11(13)12(14)5-4-10-3-2-7-15-10/h10-12,14H,2-9H2,1H3.
What are the key properties of 1-(4-methylthiomorpholin-3-yl)-3-(oxolan-2-yl)propan-1-ol?
1-(4-methylthiomorpholin-3-yl)-3-(oxolan-2-yl)propan-1-ol has a molecular weight of 245.39 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylthiomorpholin-3-yl)-3-(oxolan-2-yl)propan-1-ol is sourced from PubChem (CID 103595653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).