4-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-1,4-thiazinane 1,1-dioxide

C14H22N4O2S — CID 77080425

IUPAC4-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(Cc2cnc(N3CCCCC3)nc2)CC1
InChIInChI=1S/C14H22N4O2S/c19-21(20)8-6-17(7-9-21)12-13-10-15-14(16-11-13)18-4-2-1-3-5-18/h10-11H,1-9,12H2
InChIKeyADLNFBRJHNIOSN-UHFFFAOYSA-N
MW310.42 g/mol
LogP0.70
Rot. Bonds3

About 4-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-1,4-thiazinane 1,1-dioxide

4-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-1,4-thiazinane 1,1-dioxide (PubChem CID 77080425) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 4-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-1,4-thiazinane 1,1-dioxide
PubChem CID77080425
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name4-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-1,4-thiazinane 1,1-dioxide
SMILESO=S1(=O)CCN(Cc2cnc(N3CCCCC3)nc2)CC1
InChIInChI=1S/C14H22N4O2S/c19-21(20)8-6-17(7-9-21)12-13-10-15-14(16-11-13)18-4-2-1-3-5-18/h10-11H,1-9,12H2
InChIKeyADLNFBRJHNIOSN-UHFFFAOYSA-N
XLogP0.70
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-1,4-thiazinane 1,1-dioxide (CID 77080425) is 4-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-1,4-thiazinane 1,1-dioxide is O=S1(=O)CCN(Cc2cnc(N3CCCCC3)nc2)CC1.
What is the InChIKey of 4-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is ADLNFBRJHNIOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c19-21(20)8-6-17(7-9-21)12-13-10-15-14(16-11-13)18-4-2-1-3-5-18/h10-11H,1-9,12H2.
What are the key properties of 4-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-1,4-thiazinane 1,1-dioxide?
4-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 310.42 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 77080425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).