4-(5,6-dichloro-2-propan-2-ylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide

C11H15Cl2N3O2S — CID 166129014

IUPAC4-(5,6-dichloro-2-propan-2-ylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
SMILESCC(C)c1nc(Cl)c(Cl)c(N2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C11H15Cl2N3O2S/c1-7(2)10-14-9(13)8(12)11(15-10)16-3-5-19(17,18)6-4-16/h7H,3-6H2,1-2H3
InChIKeyDLOWSTGVQOGRJP-UHFFFAOYSA-N
MW324.23 g/mol
LogP2.14
Rot. Bonds2

About 4-(5,6-dichloro-2-propan-2-ylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide

4-(5,6-dichloro-2-propan-2-ylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide (PubChem CID 166129014) has the molecular formula C11H15Cl2N3O2S and a molecular weight of 324.23 g/mol. Its IUPAC name is 4-(5,6-dichloro-2-propan-2-ylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-(5,6-dichloro-2-propan-2-ylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
PubChem CID166129014
Molecular FormulaC11H15Cl2N3O2S
Molecular Weight324.23 g/mol
Exact Mass323.03
IUPAC Name4-(5,6-dichloro-2-propan-2-ylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide
SMILESCC(C)c1nc(Cl)c(Cl)c(N2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C11H15Cl2N3O2S/c1-7(2)10-14-9(13)8(12)11(15-10)16-3-5-19(17,18)6-4-16/h7H,3-6H2,1-2H3
InChIKeyDLOWSTGVQOGRJP-UHFFFAOYSA-N
XLogP2.14
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dichloro-2-propan-2-ylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-(5,6-dichloro-2-propan-2-ylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide (CID 166129014) is 4-(5,6-dichloro-2-propan-2-ylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-(5,6-dichloro-2-propan-2-ylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-(5,6-dichloro-2-propan-2-ylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide is CC(C)c1nc(Cl)c(Cl)c(N2CCS(=O)(=O)CC2)n1.
What is the InChIKey of 4-(5,6-dichloro-2-propan-2-ylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide?
The InChIKey is DLOWSTGVQOGRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3O2S/c1-7(2)10-14-9(13)8(12)11(15-10)16-3-5-19(17,18)6-4-16/h7H,3-6H2,1-2H3.
What are the key properties of 4-(5,6-dichloro-2-propan-2-ylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide?
4-(5,6-dichloro-2-propan-2-ylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide has a molecular weight of 324.23 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dichloro-2-propan-2-ylpyrimidin-4-yl)-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 166129014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).