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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133479701
1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
CID 112856077
4-(4,5-dimethylpyrimidin-2-yl)-2,2-diethyl-1,4-thiazinane 1-oxide
CID 133479608
4,4-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)azepane
CID 133323337
4-(4-methylpiperidin-1-yl)-6-piperidin-1-ylpyrimidine
CID 112856002
2-[6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 137266312
1-(4-ethylpiperazin-1-yl)-2-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]ethanone
CID 133293927
1-ethyl-4-[6-(4-ethyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-1,4-diazepane
CID 166231873
2,2-diethyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)-1,4-thiazinane 1-oxide
CID 133479395
N-methyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)methanamine
CID 83878191
formic acid;4-pent-1-enyl-6-piperidin-1-ylpyrimidine
CID 171149667
formic acid;4-[(E)-pent-1-enyl]-6-piperidin-1-ylpyrimidine
CID 154904902

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).