4-(1-butylsulfonylpiperidin-4-yl)oxypyrimidine

C13H21N3O3S — CID 121162229

IUPAC4-(1-butylsulfonylpiperidin-4-yl)oxypyrimidine
SMILESCCCCS(=O)(=O)N1CCC(Oc2ccncn2)CC1
InChIInChI=1S/C13H21N3O3S/c1-2-3-10-20(17,18)16-8-5-12(6-9-16)19-13-4-7-14-11-15-13/h4,7,11-12H,2-3,5-6,8-10H2,1H3
InChIKeyIEZRNSIKNXJFOQ-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.45
Rot. Bonds6

About 4-(1-butylsulfonylpiperidin-4-yl)oxypyrimidine

4-(1-butylsulfonylpiperidin-4-yl)oxypyrimidine (PubChem CID 121162229) has the molecular formula C13H21N3O3S and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-(1-butylsulfonylpiperidin-4-yl)oxypyrimidine.

Molecular Properties

Compound Name4-(1-butylsulfonylpiperidin-4-yl)oxypyrimidine
PubChem CID121162229
Molecular FormulaC13H21N3O3S
Molecular Weight299.40 g/mol
Exact Mass299.13
IUPAC Name4-(1-butylsulfonylpiperidin-4-yl)oxypyrimidine
SMILESCCCCS(=O)(=O)N1CCC(Oc2ccncn2)CC1
InChIInChI=1S/C13H21N3O3S/c1-2-3-10-20(17,18)16-8-5-12(6-9-16)19-13-4-7-14-11-15-13/h4,7,11-12H,2-3,5-6,8-10H2,1H3
InChIKeyIEZRNSIKNXJFOQ-UHFFFAOYSA-N
XLogP1.45
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-propylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122260060
2-(1-propylsulfonylpiperidin-4-yl)oxypyrazine
CID 90559116
5-(1-butylsulfonylpiperidin-4-yl)oxy-2-methylpyridine
CID 90566569
4-(1-methylpiperidin-4-yl)oxypyrimidine
CID 123827730
1-[4-(4-pyrimidin-4-yloxypiperidin-1-yl)sulfonylphenyl]ethanone
CID 121162251
4-(1-methylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122260059
N-methyl-N-[2-oxo-2-(4-pyrimidin-4-yloxypiperidin-1-yl)ethyl]methanesulfonamide
CID 121162017
1-propylsulfonyl-N-(pyrimidin-4-ylmethyl)piperidin-4-amine
CID 62748365
4-[1-(2,4-dichloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyrimidine
CID 122160912
(4-ethoxyphenyl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121161847
4-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidin-4-yl]oxypyrimidine
CID 121162300
2-methyl-4-[1-(2-phenoxyethylsulfonyl)piperidin-4-yl]oxypyrimidine
CID 121162874

Frequently Asked Questions

What is the IUPAC name of 4-(1-butylsulfonylpiperidin-4-yl)oxypyrimidine?
The IUPAC name of 4-(1-butylsulfonylpiperidin-4-yl)oxypyrimidine (CID 121162229) is 4-(1-butylsulfonylpiperidin-4-yl)oxypyrimidine.
What is the SMILES notation for 4-(1-butylsulfonylpiperidin-4-yl)oxypyrimidine?
The canonical SMILES for 4-(1-butylsulfonylpiperidin-4-yl)oxypyrimidine is CCCCS(=O)(=O)N1CCC(Oc2ccncn2)CC1.
What is the InChIKey of 4-(1-butylsulfonylpiperidin-4-yl)oxypyrimidine?
The InChIKey is IEZRNSIKNXJFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3S/c1-2-3-10-20(17,18)16-8-5-12(6-9-16)19-13-4-7-14-11-15-13/h4,7,11-12H,2-3,5-6,8-10H2,1H3.
What are the key properties of 4-(1-butylsulfonylpiperidin-4-yl)oxypyrimidine?
4-(1-butylsulfonylpiperidin-4-yl)oxypyrimidine has a molecular weight of 299.40 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-butylsulfonylpiperidin-4-yl)oxypyrimidine is sourced from PubChem (CID 121162229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).