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

C14H22N4O2S — CID 100694112

IUPAC4-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide
SMILESCc1cnc(N2CCC(N3CCS(=O)(=O)CC3)CC2)nc1
InChIInChI=1S/C14H22N4O2S/c1-12-10-15-14(16-11-12)18-4-2-13(3-5-18)17-6-8-21(19,20)9-7-17/h10-11,13H,2-9H2,1H3
InChIKeyFTNFGZMLIHKZOL-UHFFFAOYSA-N
MW310.42 g/mol
LogP0.48
Rot. Bonds2

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

4-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide (PubChem CID 100694112) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 4-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name4-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide
PubChem CID100694112
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name4-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide
SMILESCc1cnc(N2CCC(N3CCS(=O)(=O)CC3)CC2)nc1
InChIInChI=1S/C14H22N4O2S/c1-12-10-15-14(16-11-12)18-4-2-13(3-5-18)17-6-8-21(19,20)9-7-17/h10-11,13H,2-9H2,1H3
InChIKeyFTNFGZMLIHKZOL-UHFFFAOYSA-N
XLogP0.48
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of 4-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide (CID 100694112) is 4-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for 4-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for 4-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide is Cc1cnc(N2CCC(N3CCS(=O)(=O)CC3)CC2)nc1.
What is the InChIKey of 4-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is FTNFGZMLIHKZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-12-10-15-14(16-11-12)18-4-2-13(3-5-18)17-6-8-21(19,20)9-7-17/h10-11,13H,2-9H2,1H3.
What are the key properties of 4-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide?
4-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 310.42 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 100694112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).