4-(1-propylsulfonylpiperidin-3-yl)oxypyrimidine

C12H19N3O3S — CID 122260060

IUPAC4-(1-propylsulfonylpiperidin-3-yl)oxypyrimidine
SMILESCCCS(=O)(=O)N1CCCC(Oc2ccncn2)C1
InChIInChI=1S/C12H19N3O3S/c1-2-8-19(16,17)15-7-3-4-11(9-15)18-12-5-6-13-10-14-12/h5-6,10-11H,2-4,7-9H2,1H3
InChIKeyLQFSNSSGIGAVHK-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.06
Rot. Bonds5

About 4-(1-propylsulfonylpiperidin-3-yl)oxypyrimidine

4-(1-propylsulfonylpiperidin-3-yl)oxypyrimidine (PubChem CID 122260060) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-(1-propylsulfonylpiperidin-3-yl)oxypyrimidine.

Molecular Properties

Compound Name4-(1-propylsulfonylpiperidin-3-yl)oxypyrimidine
PubChem CID122260060
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name4-(1-propylsulfonylpiperidin-3-yl)oxypyrimidine
SMILESCCCS(=O)(=O)N1CCCC(Oc2ccncn2)C1
InChIInChI=1S/C12H19N3O3S/c1-2-8-19(16,17)15-7-3-4-11(9-15)18-12-5-6-13-10-14-12/h5-6,10-11H,2-4,7-9H2,1H3
InChIKeyLQFSNSSGIGAVHK-UHFFFAOYSA-N
XLogP1.06
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-methylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122260059
4-(1-butylsulfonylpiperidin-4-yl)oxypyrimidine
CID 121162229
4-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122260064
4-[1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122260123
4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122161105
N-propyl-3-pyrimidin-4-yloxypiperidine-1-carboxamide
CID 122260053
4-(1-naphthalen-2-ylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122260073
N-ethyl-3-pyrimidin-4-yloxypiperidine-1-carboxamide
CID 122260044
3-methoxy-6-(1-propylsulfonylpyrrolidin-3-yl)oxypyridazine
CID 90639359
2-methyl-4-[1-(2-phenoxyethylsulfonyl)piperidin-3-yl]oxypyrimidine
CID 122261143
(3-pyrimidin-4-yloxypiperidin-1-yl)-(3,4,5-triethoxyphenyl)methanone
CID 122259783
(4-piperidin-1-ylsulfonylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122259844

Frequently Asked Questions

What is the IUPAC name of 4-(1-propylsulfonylpiperidin-3-yl)oxypyrimidine?
The IUPAC name of 4-(1-propylsulfonylpiperidin-3-yl)oxypyrimidine (CID 122260060) is 4-(1-propylsulfonylpiperidin-3-yl)oxypyrimidine.
What is the SMILES notation for 4-(1-propylsulfonylpiperidin-3-yl)oxypyrimidine?
The canonical SMILES for 4-(1-propylsulfonylpiperidin-3-yl)oxypyrimidine is CCCS(=O)(=O)N1CCCC(Oc2ccncn2)C1.
What is the InChIKey of 4-(1-propylsulfonylpiperidin-3-yl)oxypyrimidine?
The InChIKey is LQFSNSSGIGAVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-2-8-19(16,17)15-7-3-4-11(9-15)18-12-5-6-13-10-14-12/h5-6,10-11H,2-4,7-9H2,1H3.
What are the key properties of 4-(1-propylsulfonylpiperidin-3-yl)oxypyrimidine?
4-(1-propylsulfonylpiperidin-3-yl)oxypyrimidine has a molecular weight of 285.37 g/mol, XLogP of 1.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-propylsulfonylpiperidin-3-yl)oxypyrimidine is sourced from PubChem (CID 122260060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).