3-(2-methyl-1-oxo-1,4-thiazinan-4-yl)butan-2-ol

C9H19NO2S — CID 130666898

IUPAC3-(2-methyl-1-oxo-1,4-thiazinan-4-yl)butan-2-ol
SMILESCC(O)C(C)N1CCS(=O)C(C)C1
InChIInChI=1S/C9H19NO2S/c1-7-6-10(4-5-13(7)12)8(2)9(3)11/h7-9,11H,4-6H2,1-3H3
InChIKeyOJDWCJUCXJONKL-UHFFFAOYSA-N
MW205.32 g/mol
LogP0.21
Rot. Bonds2

About 3-(2-methyl-1-oxo-1,4-thiazinan-4-yl)butan-2-ol

3-(2-methyl-1-oxo-1,4-thiazinan-4-yl)butan-2-ol (PubChem CID 130666898) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is 3-(2-methyl-1-oxo-1,4-thiazinan-4-yl)butan-2-ol.

Molecular Properties

Compound Name3-(2-methyl-1-oxo-1,4-thiazinan-4-yl)butan-2-ol
PubChem CID130666898
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Name3-(2-methyl-1-oxo-1,4-thiazinan-4-yl)butan-2-ol
SMILESCC(O)C(C)N1CCS(=O)C(C)C1
InChIInChI=1S/C9H19NO2S/c1-7-6-10(4-5-13(7)12)8(2)9(3)11/h7-9,11H,4-6H2,1-3H3
InChIKeyOJDWCJUCXJONKL-UHFFFAOYSA-N
XLogP0.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methyl-1-oxo-1,4-thiazinan-4-yl)-2-oxoacetic acid
CID 131106295
3-(3-piperidin-1-ylpyrrolidin-1-yl)butan-2-ol
CID 63171314
(2S,3R)-3-pyrrolidin-1-ylbutan-2-ol
CID 59057792
ethyl 2-methyl-1-oxo-1,4-thiazinane-4-carboxylate
CID 131155373
(2R,3R)-3-piperidin-1-ylbutan-2-ol
CID 51980607
4-[2-(bromomethyl)prop-2-enyl]-2-methyl-1,4-thiazinane 1-oxide
CID 130627712
3-[4-(ethylamino)-3-methylpiperidin-1-yl]butan-2-ol
CID 114499381
(3R,4R)-4-(2-methyl-1-oxo-1,4-thiazinan-4-yl)pyrrolidin-3-ol;hydrochloride
CID 131182973
3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-2-ol
CID 102885599
3-[3-ethyl-4-(methylamino)piperidin-1-yl]butan-2-ol
CID 114507986
3-(8-azaspiro[4.5]decan-8-yl)butan-2-ol
CID 63158941
2-(1-oxo-1,4-thiazinan-4-yl)propan-1-ol
CID 130503051

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1-oxo-1,4-thiazinan-4-yl)butan-2-ol?
The IUPAC name of 3-(2-methyl-1-oxo-1,4-thiazinan-4-yl)butan-2-ol (CID 130666898) is 3-(2-methyl-1-oxo-1,4-thiazinan-4-yl)butan-2-ol.
What is the SMILES notation for 3-(2-methyl-1-oxo-1,4-thiazinan-4-yl)butan-2-ol?
The canonical SMILES for 3-(2-methyl-1-oxo-1,4-thiazinan-4-yl)butan-2-ol is CC(O)C(C)N1CCS(=O)C(C)C1.
What is the InChIKey of 3-(2-methyl-1-oxo-1,4-thiazinan-4-yl)butan-2-ol?
The InChIKey is OJDWCJUCXJONKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-7-6-10(4-5-13(7)12)8(2)9(3)11/h7-9,11H,4-6H2,1-3H3.
What are the key properties of 3-(2-methyl-1-oxo-1,4-thiazinan-4-yl)butan-2-ol?
3-(2-methyl-1-oxo-1,4-thiazinan-4-yl)butan-2-ol has a molecular weight of 205.32 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1-oxo-1,4-thiazinan-4-yl)butan-2-ol is sourced from PubChem (CID 130666898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).