[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-oxazol-4-yl]methanol

C9H14N2O4S — CID 102885846

IUPAC[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-oxazol-4-yl]methanol
SMILESCC1CS(=O)(=O)CCN1c1nc(CO)co1
InChIInChI=1S/C9H14N2O4S/c1-7-6-16(13,14)3-2-11(7)9-10-8(4-12)5-15-9/h5,7,12H,2-4,6H2,1H3
InChIKeyJORQKLXPNHFKHM-UHFFFAOYSA-N
MW246.29 g/mol
LogP-0.21
Rot. Bonds2

About [2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-oxazol-4-yl]methanol

[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-oxazol-4-yl]methanol (PubChem CID 102885846) has the molecular formula C9H14N2O4S and a molecular weight of 246.29 g/mol. Its IUPAC name is [2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-oxazol-4-yl]methanol
PubChem CID102885846
Molecular FormulaC9H14N2O4S
Molecular Weight246.29 g/mol
Exact Mass246.07
IUPAC Name[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-oxazol-4-yl]methanol
SMILESCC1CS(=O)(=O)CCN1c1nc(CO)co1
InChIInChI=1S/C9H14N2O4S/c1-7-6-16(13,14)3-2-11(7)9-10-8(4-12)5-15-9/h5,7,12H,2-4,6H2,1H3
InChIKeyJORQKLXPNHFKHM-UHFFFAOYSA-N
XLogP-0.21
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-oxazol-4-yl]methanol?
The IUPAC name of [2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-oxazol-4-yl]methanol (CID 102885846) is [2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-oxazol-4-yl]methanol is CC1CS(=O)(=O)CCN1c1nc(CO)co1.
What is the InChIKey of [2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-oxazol-4-yl]methanol?
The InChIKey is JORQKLXPNHFKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4S/c1-7-6-16(13,14)3-2-11(7)9-10-8(4-12)5-15-9/h5,7,12H,2-4,6H2,1H3.
What are the key properties of [2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-oxazol-4-yl]methanol?
[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-oxazol-4-yl]methanol has a molecular weight of 246.29 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 102885846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).