(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-(1,3-thiazol-4-yl)methanone

C10H14N2O3S2 — CID 71854770

IUPAC(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-(1,3-thiazol-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2cscn2)CCS1(=O)=O
InChIInChI=1S/C10H14N2O3S2/c1-10(2)6-12(3-4-17(10,14)15)9(13)8-5-16-7-11-8/h5,7H,3-4,6H2,1-2H3
InChIKeyYTAHVQUWVXPAMR-UHFFFAOYSA-N
MW274.37 g/mol
LogP0.79
Rot. Bonds1

About (2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-(1,3-thiazol-4-yl)methanone

(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-(1,3-thiazol-4-yl)methanone (PubChem CID 71854770) has the molecular formula C10H14N2O3S2 and a molecular weight of 274.37 g/mol. Its IUPAC name is (2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-(1,3-thiazol-4-yl)methanone
PubChem CID71854770
Molecular FormulaC10H14N2O3S2
Molecular Weight274.37 g/mol
Exact Mass274.04
IUPAC Name(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-(1,3-thiazol-4-yl)methanone
SMILESCC1(C)CN(C(=O)c2cscn2)CCS1(=O)=O
InChIInChI=1S/C10H14N2O3S2/c1-10(2)6-12(3-4-17(10,14)15)9(13)8-5-16-7-11-8/h5,7H,3-4,6H2,1-2H3
InChIKeyYTAHVQUWVXPAMR-UHFFFAOYSA-N
XLogP0.79
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-(1,3-thiazol-4-yl)methanone?
The IUPAC name of (2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-(1,3-thiazol-4-yl)methanone (CID 71854770) is (2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for (2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-(1,3-thiazol-4-yl)methanone is CC1(C)CN(C(=O)c2cscn2)CCS1(=O)=O.
What is the InChIKey of (2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-(1,3-thiazol-4-yl)methanone?
The InChIKey is YTAHVQUWVXPAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S2/c1-10(2)6-12(3-4-17(10,14)15)9(13)8-5-16-7-11-8/h5,7H,3-4,6H2,1-2H3.
What are the key properties of (2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-(1,3-thiazol-4-yl)methanone?
(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-(1,3-thiazol-4-yl)methanone has a molecular weight of 274.37 g/mol, XLogP of 0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 71854770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).