2,2-diethyl-4-(6-piperidin-1-ylpyrimidin-4-yl)-1,4-thiazinane 1-oxide

C17H28N4OS — CID 133479391

IUPAC2,2-diethyl-4-(6-piperidin-1-ylpyrimidin-4-yl)-1,4-thiazinane 1-oxide
SMILESCCC1(CC)CN(c2cc(N3CCCCC3)ncn2)CCS1=O
InChIInChI=1S/C17H28N4OS/c1-3-17(4-2)13-21(10-11-23(17)22)16-12-15(18-14-19-16)20-8-6-5-7-9-20/h12,14H,3-11,13H2,1-2H3
InChIKeyOQKRPJUFAHPQIA-UHFFFAOYSA-N
MW336.51 g/mol
LogP2.59
Rot. Bonds4

About 2,2-diethyl-4-(6-piperidin-1-ylpyrimidin-4-yl)-1,4-thiazinane 1-oxide

2,2-diethyl-4-(6-piperidin-1-ylpyrimidin-4-yl)-1,4-thiazinane 1-oxide (PubChem CID 133479391) has the molecular formula C17H28N4OS and a molecular weight of 336.51 g/mol. Its IUPAC name is 2,2-diethyl-4-(6-piperidin-1-ylpyrimidin-4-yl)-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name2,2-diethyl-4-(6-piperidin-1-ylpyrimidin-4-yl)-1,4-thiazinane 1-oxide
PubChem CID133479391
Molecular FormulaC17H28N4OS
Molecular Weight336.51 g/mol
Exact Mass336.20
IUPAC Name2,2-diethyl-4-(6-piperidin-1-ylpyrimidin-4-yl)-1,4-thiazinane 1-oxide
SMILESCCC1(CC)CN(c2cc(N3CCCCC3)ncn2)CCS1=O
InChIInChI=1S/C17H28N4OS/c1-3-17(4-2)13-21(10-11-23(17)22)16-12-15(18-14-19-16)20-8-6-5-7-9-20/h12,14H,3-11,13H2,1-2H3
InChIKeyOQKRPJUFAHPQIA-UHFFFAOYSA-N
XLogP2.59
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.51
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-4-(6-piperidin-1-ylpyrimidin-4-yl)-1,4-thiazinane 1-oxide?
The IUPAC name of 2,2-diethyl-4-(6-piperidin-1-ylpyrimidin-4-yl)-1,4-thiazinane 1-oxide (CID 133479391) is 2,2-diethyl-4-(6-piperidin-1-ylpyrimidin-4-yl)-1,4-thiazinane 1-oxide.
What is the SMILES notation for 2,2-diethyl-4-(6-piperidin-1-ylpyrimidin-4-yl)-1,4-thiazinane 1-oxide?
The canonical SMILES for 2,2-diethyl-4-(6-piperidin-1-ylpyrimidin-4-yl)-1,4-thiazinane 1-oxide is CCC1(CC)CN(c2cc(N3CCCCC3)ncn2)CCS1=O.
What is the InChIKey of 2,2-diethyl-4-(6-piperidin-1-ylpyrimidin-4-yl)-1,4-thiazinane 1-oxide?
The InChIKey is OQKRPJUFAHPQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4OS/c1-3-17(4-2)13-21(10-11-23(17)22)16-12-15(18-14-19-16)20-8-6-5-7-9-20/h12,14H,3-11,13H2,1-2H3.
What are the key properties of 2,2-diethyl-4-(6-piperidin-1-ylpyrimidin-4-yl)-1,4-thiazinane 1-oxide?
2,2-diethyl-4-(6-piperidin-1-ylpyrimidin-4-yl)-1,4-thiazinane 1-oxide has a molecular weight of 336.51 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-4-(6-piperidin-1-ylpyrimidin-4-yl)-1,4-thiazinane 1-oxide is sourced from PubChem (CID 133479391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).