4-(4,5-dimethylpyrimidin-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide

C14H23N3OS — CID 133479608

IUPAC4-(4,5-dimethylpyrimidin-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide
SMILESCCC1(CC)CN(c2ncc(C)c(C)n2)CCS1=O
InChIInChI=1S/C14H23N3OS/c1-5-14(6-2)10-17(7-8-19(14)18)13-15-9-11(3)12(4)16-13/h9H,5-8,10H2,1-4H3
InChIKeyKHLVTXAPRBUJSQ-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.22
Rot. Bonds3

About 4-(4,5-dimethylpyrimidin-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide

4-(4,5-dimethylpyrimidin-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide (PubChem CID 133479608) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 4-(4,5-dimethylpyrimidin-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-(4,5-dimethylpyrimidin-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide
PubChem CID133479608
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name4-(4,5-dimethylpyrimidin-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide
SMILESCCC1(CC)CN(c2ncc(C)c(C)n2)CCS1=O
InChIInChI=1S/C14H23N3OS/c1-5-14(6-2)10-17(7-8-19(14)18)13-15-9-11(3)12(4)16-13/h9H,5-8,10H2,1-4H3
InChIKeyKHLVTXAPRBUJSQ-UHFFFAOYSA-N
XLogP2.22
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethylpyrimidin-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide?
The IUPAC name of 4-(4,5-dimethylpyrimidin-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide (CID 133479608) is 4-(4,5-dimethylpyrimidin-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-(4,5-dimethylpyrimidin-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-(4,5-dimethylpyrimidin-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide is CCC1(CC)CN(c2ncc(C)c(C)n2)CCS1=O.
What is the InChIKey of 4-(4,5-dimethylpyrimidin-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide?
The InChIKey is KHLVTXAPRBUJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-5-14(6-2)10-17(7-8-19(14)18)13-15-9-11(3)12(4)16-13/h9H,5-8,10H2,1-4H3.
What are the key properties of 4-(4,5-dimethylpyrimidin-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide?
4-(4,5-dimethylpyrimidin-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide has a molecular weight of 281.42 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethylpyrimidin-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 133479608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).