[2-(1,1-dihydroxy-1,4-thiazinan-4-yl)-2-oxoethyl] acetate;ethane

C10H21NO5S — CID 169188364

IUPAC[2-(1,1-dihydroxy-1,4-thiazinan-4-yl)-2-oxoethyl] acetate;ethane
SMILESCC.CC(=O)OCC(=O)N1CCS(O)(O)CC1
InChIInChI=1S/C8H15NO5S.C2H6/c1-7(10)14-6-8(11)9-2-4-15(12,13)5-3-9;1-2/h12-13H,2-6H2,1H3;1-2H3
InChIKeyYEPUDTJZQBZVFC-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.17
Rot. Bonds2

About [2-(1,1-dihydroxy-1,4-thiazinan-4-yl)-2-oxoethyl] acetate;ethane

[2-(1,1-dihydroxy-1,4-thiazinan-4-yl)-2-oxoethyl] acetate;ethane (PubChem CID 169188364) has the molecular formula C10H21NO5S and a molecular weight of 267.35 g/mol. Its IUPAC name is [2-(1,1-dihydroxy-1,4-thiazinan-4-yl)-2-oxoethyl] acetate;ethane.

Molecular Properties

Compound Name[2-(1,1-dihydroxy-1,4-thiazinan-4-yl)-2-oxoethyl] acetate;ethane
PubChem CID169188364
Molecular FormulaC10H21NO5S
Molecular Weight267.35 g/mol
Exact Mass267.11
IUPAC Name[2-(1,1-dihydroxy-1,4-thiazinan-4-yl)-2-oxoethyl] acetate;ethane
SMILESCC.CC(=O)OCC(=O)N1CCS(O)(O)CC1
InChIInChI=1S/C8H15NO5S.C2H6/c1-7(10)14-6-8(11)9-2-4-15(12,13)5-3-9;1-2/h12-13H,2-6H2,1H3;1-2H3
InChIKeyYEPUDTJZQBZVFC-UHFFFAOYSA-N
XLogP1.17
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-{[2-(Morpholin-4-yl)-2-oxoethyl]sulfanyl}acetic acid
CID 752696
2-Propoxy-1-thiomorpholin-4-ylethanone
CID 48677757
2-Ethoxy-1-thiomorpholin-4-ylethanone
CID 53733688
2-(3-Oxothiomorpholin-4-yl)ethyl acetate
CID 154261769
[2-(1,1-Dioxo-1,4-thiazinan-4-yl)-2-oxoethyl] acetate
CID 169795939
Methyl 3-(2-morpholin-4-yl-2-oxoethyl)sulfanylpropanoate
CID 4127023
2-(2-Morpholin-4-yl-2-oxoethyl)sulfanylacetate
CID 5051314
2-[Methyl-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]acetic acid
CID 43356250
Methyl 2-[methyl-[2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetyl]amino]acetate
CID 43407611
Ethyl 2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetate
CID 52141325
Methyl 2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetate
CID 52141329
[2-(Diethylamino)-2-oxoethyl] 2-(1,1-dioxo-1,4-thiazinan-4-yl)acetate
CID 55701741

Frequently Asked Questions

What is the IUPAC name of [2-(1,1-dihydroxy-1,4-thiazinan-4-yl)-2-oxoethyl] acetate;ethane?
The IUPAC name of [2-(1,1-dihydroxy-1,4-thiazinan-4-yl)-2-oxoethyl] acetate;ethane (CID 169188364) is [2-(1,1-dihydroxy-1,4-thiazinan-4-yl)-2-oxoethyl] acetate;ethane.
What is the SMILES notation for [2-(1,1-dihydroxy-1,4-thiazinan-4-yl)-2-oxoethyl] acetate;ethane?
The canonical SMILES for [2-(1,1-dihydroxy-1,4-thiazinan-4-yl)-2-oxoethyl] acetate;ethane is CC.CC(=O)OCC(=O)N1CCS(O)(O)CC1.
What is the InChIKey of [2-(1,1-dihydroxy-1,4-thiazinan-4-yl)-2-oxoethyl] acetate;ethane?
The InChIKey is YEPUDTJZQBZVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5S.C2H6/c1-7(10)14-6-8(11)9-2-4-15(12,13)5-3-9;1-2/h12-13H,2-6H2,1H3;1-2H3.
What are the key properties of [2-(1,1-dihydroxy-1,4-thiazinan-4-yl)-2-oxoethyl] acetate;ethane?
[2-(1,1-dihydroxy-1,4-thiazinan-4-yl)-2-oxoethyl] acetate;ethane has a molecular weight of 267.35 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,1-dihydroxy-1,4-thiazinan-4-yl)-2-oxoethyl] acetate;ethane is sourced from PubChem (CID 169188364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).