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

C10H15N3O3S — CID 122260059

IUPAC4-(1-methylsulfonylpiperidin-3-yl)oxypyrimidine
SMILESCS(=O)(=O)N1CCCC(Oc2ccncn2)C1
InChIInChI=1S/C10H15N3O3S/c1-17(14,15)13-6-2-3-9(7-13)16-10-4-5-11-8-12-10/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyXZGPMFWSGKLBQG-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.28
Rot. Bonds3

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

4-(1-methylsulfonylpiperidin-3-yl)oxypyrimidine (PubChem CID 122260059) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 4-(1-methylsulfonylpiperidin-3-yl)oxypyrimidine.

Molecular Properties

Compound Name4-(1-methylsulfonylpiperidin-3-yl)oxypyrimidine
PubChem CID122260059
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name4-(1-methylsulfonylpiperidin-3-yl)oxypyrimidine
SMILESCS(=O)(=O)N1CCCC(Oc2ccncn2)C1
InChIInChI=1S/C10H15N3O3S/c1-17(14,15)13-6-2-3-9(7-13)16-10-4-5-11-8-12-10/h4-5,8-9H,2-3,6-7H2,1H3
InChIKeyXZGPMFWSGKLBQG-UHFFFAOYSA-N
XLogP0.28
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-propylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122260060
4-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122260064
4-[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122161105
4-(1-naphthalen-2-ylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122260073
4-[1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122260123
(4-piperidin-1-ylsulfonylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122259844
4-(1-methylpiperidin-4-yl)oxypyrimidine
CID 123827730
N-ethyl-3-pyrimidin-4-yloxypiperidine-1-carboxamide
CID 122260044
4-[1-(2,4-dichloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyrimidine
CID 122160912
N-propyl-3-pyrimidin-4-yloxypiperidine-1-carboxamide
CID 122260053
3-chloro-2,2-dimethyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)propan-1-one
CID 122259763
N-(2-methoxyethyl)-3-pyrimidin-4-yloxypiperidine-1-carboxamide
CID 122260046

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylsulfonylpiperidin-3-yl)oxypyrimidine?
The IUPAC name of 4-(1-methylsulfonylpiperidin-3-yl)oxypyrimidine (CID 122260059) is 4-(1-methylsulfonylpiperidin-3-yl)oxypyrimidine.
What is the SMILES notation for 4-(1-methylsulfonylpiperidin-3-yl)oxypyrimidine?
The canonical SMILES for 4-(1-methylsulfonylpiperidin-3-yl)oxypyrimidine is CS(=O)(=O)N1CCCC(Oc2ccncn2)C1.
What is the InChIKey of 4-(1-methylsulfonylpiperidin-3-yl)oxypyrimidine?
The InChIKey is XZGPMFWSGKLBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-17(14,15)13-6-2-3-9(7-13)16-10-4-5-11-8-12-10/h4-5,8-9H,2-3,6-7H2,1H3.
What are the key properties of 4-(1-methylsulfonylpiperidin-3-yl)oxypyrimidine?
4-(1-methylsulfonylpiperidin-3-yl)oxypyrimidine has a molecular weight of 257.31 g/mol, XLogP of 0.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylsulfonylpiperidin-3-yl)oxypyrimidine is sourced from PubChem (CID 122260059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).