2-(1-benzylsulfonylpiperidin-3-yl)oxypyrimidine

C16H19N3O3S — CID 122257583

IUPAC2-(1-benzylsulfonylpiperidin-3-yl)oxypyrimidine
SMILESO=S(=O)(Cc1ccccc1)N1CCCC(Oc2ncccn2)C1
InChIInChI=1S/C16H19N3O3S/c20-23(21,13-14-6-2-1-3-7-14)19-11-4-8-15(12-19)22-16-17-9-5-10-18-16/h1-3,5-7,9-10,15H,4,8,11-13H2
InChIKeyJDQUASZRAUYRKP-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.85
Rot. Bonds5

About 2-(1-benzylsulfonylpiperidin-3-yl)oxypyrimidine

2-(1-benzylsulfonylpiperidin-3-yl)oxypyrimidine (PubChem CID 122257583) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is 2-(1-benzylsulfonylpiperidin-3-yl)oxypyrimidine.

Molecular Properties

Compound Name2-(1-benzylsulfonylpiperidin-3-yl)oxypyrimidine
PubChem CID122257583
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name2-(1-benzylsulfonylpiperidin-3-yl)oxypyrimidine
SMILESO=S(=O)(Cc1ccccc1)N1CCCC(Oc2ncccn2)C1
InChIInChI=1S/C16H19N3O3S/c20-23(21,13-14-6-2-1-3-7-14)19-11-4-8-15(12-19)22-16-17-9-5-10-18-16/h1-3,5-7,9-10,15H,4,8,11-13H2
InChIKeyJDQUASZRAUYRKP-UHFFFAOYSA-N
XLogP1.85
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(1-benzylsulfonylpiperidin-3-yl)oxypyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-benzylsulfonylpiperidin-3-yl)oxy-5-chloropyrimidine
CID 122259616
3-[(3R)-1-benzylsulfonylpyrrolidin-3-yl]oxypyridine
CID 129381862
2-[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]oxypyrimidine
CID 90558927
3-(1-benzylsulfonylpyrrolidin-3-yl)oxypyridazine
CID 90638513
(3S)-1-benzylsulfonylpiperidin-3-ol
CID 92966032
1-benzylsulfonyl-N-methylpiperidin-3-amine;hydrochloride
CID 120714938
2-methyl-4-[1-[(4-methylphenyl)methylsulfonyl]piperidin-3-yl]oxypyrimidine
CID 122261146
2-[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122257613
2-methyl-4-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]oxypyrimidine
CID 122261115
1-benzylsulfonylpiperidine-3-carboxylic acid
CID 16773365
2-[1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 121018010
2-[(3S)-1-benzylsulfonylpyrrolidin-3-yl]oxy-6-methylpyridine
CID 129416960

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylsulfonylpiperidin-3-yl)oxypyrimidine?
The IUPAC name of 2-(1-benzylsulfonylpiperidin-3-yl)oxypyrimidine (CID 122257583) is 2-(1-benzylsulfonylpiperidin-3-yl)oxypyrimidine.
What is the SMILES notation for 2-(1-benzylsulfonylpiperidin-3-yl)oxypyrimidine?
The canonical SMILES for 2-(1-benzylsulfonylpiperidin-3-yl)oxypyrimidine is O=S(=O)(Cc1ccccc1)N1CCCC(Oc2ncccn2)C1.
What is the InChIKey of 2-(1-benzylsulfonylpiperidin-3-yl)oxypyrimidine?
The InChIKey is JDQUASZRAUYRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c20-23(21,13-14-6-2-1-3-7-14)19-11-4-8-15(12-19)22-16-17-9-5-10-18-16/h1-3,5-7,9-10,15H,4,8,11-13H2.
What are the key properties of 2-(1-benzylsulfonylpiperidin-3-yl)oxypyrimidine?
2-(1-benzylsulfonylpiperidin-3-yl)oxypyrimidine has a molecular weight of 333.41 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylsulfonylpiperidin-3-yl)oxypyrimidine is sourced from PubChem (CID 122257583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).