1-[(2S)-2-methyl-1,1-dioxo-1,4-thiazinan-4-yl]-2-(1,3-thiazol-5-yl)ethanone

C10H14N2O3S2 — CID 164634657

IUPAC1-[(2S)-2-methyl-1,1-dioxo-1,4-thiazinan-4-yl]-2-(1,3-thiazol-5-yl)ethanone
SMILESC[C@H]1CN(C(=O)Cc2cncs2)CCS1(=O)=O
InChIInChI=1S/C10H14N2O3S2/c1-8-6-12(2-3-17(8,14)15)10(13)4-9-5-11-7-16-9/h5,7-8H,2-4,6H2,1H3/t8-/m0/s1
InChIKeyCOBIYDNSTMAYCE-QMMMGPOBSA-N
MW274.37 g/mol
LogP0.33
Rot. Bonds2

About 1-[(2S)-2-methyl-1,1-dioxo-1,4-thiazinan-4-yl]-2-(1,3-thiazol-5-yl)ethanone

1-[(2S)-2-methyl-1,1-dioxo-1,4-thiazinan-4-yl]-2-(1,3-thiazol-5-yl)ethanone (PubChem CID 164634657) has the molecular formula C10H14N2O3S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-[(2S)-2-methyl-1,1-dioxo-1,4-thiazinan-4-yl]-2-(1,3-thiazol-5-yl)ethanone.

Molecular Properties

Compound Name1-[(2S)-2-methyl-1,1-dioxo-1,4-thiazinan-4-yl]-2-(1,3-thiazol-5-yl)ethanone
PubChem CID164634657
Molecular FormulaC10H14N2O3S2
Molecular Weight274.37 g/mol
Exact Mass274.04
IUPAC Name1-[(2S)-2-methyl-1,1-dioxo-1,4-thiazinan-4-yl]-2-(1,3-thiazol-5-yl)ethanone
SMILESC[C@H]1CN(C(=O)Cc2cncs2)CCS1(=O)=O
InChIInChI=1S/C10H14N2O3S2/c1-8-6-12(2-3-17(8,14)15)10(13)4-9-5-11-7-16-9/h5,7-8H,2-4,6H2,1H3/t8-/m0/s1
InChIKeyCOBIYDNSTMAYCE-QMMMGPOBSA-N
XLogP0.33
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-methyl-1,1-dioxo-1,4-thiazinan-4-yl]-2-(1,3-thiazol-5-yl)ethanone?
The IUPAC name of 1-[(2S)-2-methyl-1,1-dioxo-1,4-thiazinan-4-yl]-2-(1,3-thiazol-5-yl)ethanone (CID 164634657) is 1-[(2S)-2-methyl-1,1-dioxo-1,4-thiazinan-4-yl]-2-(1,3-thiazol-5-yl)ethanone.
What is the SMILES notation for 1-[(2S)-2-methyl-1,1-dioxo-1,4-thiazinan-4-yl]-2-(1,3-thiazol-5-yl)ethanone?
The canonical SMILES for 1-[(2S)-2-methyl-1,1-dioxo-1,4-thiazinan-4-yl]-2-(1,3-thiazol-5-yl)ethanone is C[C@H]1CN(C(=O)Cc2cncs2)CCS1(=O)=O.
What is the InChIKey of 1-[(2S)-2-methyl-1,1-dioxo-1,4-thiazinan-4-yl]-2-(1,3-thiazol-5-yl)ethanone?
The InChIKey is COBIYDNSTMAYCE-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14N2O3S2/c1-8-6-12(2-3-17(8,14)15)10(13)4-9-5-11-7-16-9/h5,7-8H,2-4,6H2,1H3/t8-/m0/s1.
What are the key properties of 1-[(2S)-2-methyl-1,1-dioxo-1,4-thiazinan-4-yl]-2-(1,3-thiazol-5-yl)ethanone?
1-[(2S)-2-methyl-1,1-dioxo-1,4-thiazinan-4-yl]-2-(1,3-thiazol-5-yl)ethanone has a molecular weight of 274.37 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-methyl-1,1-dioxo-1,4-thiazinan-4-yl]-2-(1,3-thiazol-5-yl)ethanone is sourced from PubChem (CID 164634657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).