[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(2-methylthiolan-2-yl)methanone

C12H21NO3S — CID 81452742

IUPAC[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(2-methylthiolan-2-yl)methanone
SMILESCC1COC(CO)CN1C(=O)C1(C)CCCS1
InChIInChI=1S/C12H21NO3S/c1-9-8-16-10(7-14)6-13(9)11(15)12(2)4-3-5-17-12/h9-10,14H,3-8H2,1-2H3
InChIKeyFOFGAXNYILNIIX-UHFFFAOYSA-N
MW259.37 g/mol
LogP0.88
Rot. Bonds2

About [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(2-methylthiolan-2-yl)methanone

[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(2-methylthiolan-2-yl)methanone (PubChem CID 81452742) has the molecular formula C12H21NO3S and a molecular weight of 259.37 g/mol. Its IUPAC name is [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(2-methylthiolan-2-yl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(2-methylthiolan-2-yl)methanone
PubChem CID81452742
Molecular FormulaC12H21NO3S
Molecular Weight259.37 g/mol
Exact Mass259.12
IUPAC Name[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(2-methylthiolan-2-yl)methanone
SMILESCC1COC(CO)CN1C(=O)C1(C)CCCS1
InChIInChI=1S/C12H21NO3S/c1-9-8-16-10(7-14)6-13(9)11(15)12(2)4-3-5-17-12/h9-10,14H,3-8H2,1-2H3
InChIKeyFOFGAXNYILNIIX-UHFFFAOYSA-N
XLogP0.88
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.37
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(2-methylthiolan-2-yl)methanone?
The IUPAC name of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(2-methylthiolan-2-yl)methanone (CID 81452742) is [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(2-methylthiolan-2-yl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(2-methylthiolan-2-yl)methanone?
The canonical SMILES for [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(2-methylthiolan-2-yl)methanone is CC1COC(CO)CN1C(=O)C1(C)CCCS1.
What is the InChIKey of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(2-methylthiolan-2-yl)methanone?
The InChIKey is FOFGAXNYILNIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3S/c1-9-8-16-10(7-14)6-13(9)11(15)12(2)4-3-5-17-12/h9-10,14H,3-8H2,1-2H3.
What are the key properties of [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(2-methylthiolan-2-yl)methanone?
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(2-methylthiolan-2-yl)methanone has a molecular weight of 259.37 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(2-methylthiolan-2-yl)methanone is sourced from PubChem (CID 81452742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).