4-[1-(benzenesulfonyl)piperidin-3-yl]oxy-2-methoxypyrimidine

C16H19N3O4S — CID 122261625

IUPAC4-[1-(benzenesulfonyl)piperidin-3-yl]oxy-2-methoxypyrimidine
SMILESCOc1nccc(OC2CCCN(S(=O)(=O)c3ccccc3)C2)n1
InChIInChI=1S/C16H19N3O4S/c1-22-16-17-10-9-15(18-16)23-13-6-5-11-19(12-13)24(20,21)14-7-3-2-4-8-14/h2-4,7-10,13H,5-6,11-12H2,1H3
InChIKeyVSYKAIAHUSXZFY-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.72
Rot. Bonds5

About 4-[1-(benzenesulfonyl)piperidin-3-yl]oxy-2-methoxypyrimidine

4-[1-(benzenesulfonyl)piperidin-3-yl]oxy-2-methoxypyrimidine (PubChem CID 122261625) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is 4-[1-(benzenesulfonyl)piperidin-3-yl]oxy-2-methoxypyrimidine.

Molecular Properties

Compound Name4-[1-(benzenesulfonyl)piperidin-3-yl]oxy-2-methoxypyrimidine
PubChem CID122261625
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name4-[1-(benzenesulfonyl)piperidin-3-yl]oxy-2-methoxypyrimidine
SMILESCOc1nccc(OC2CCCN(S(=O)(=O)c3ccccc3)C2)n1
InChIInChI=1S/C16H19N3O4S/c1-22-16-17-10-9-15(18-16)23-13-6-5-11-19(12-13)24(20,21)14-7-3-2-4-8-14/h2-4,7-10,13H,5-6,11-12H2,1H3
InChIKeyVSYKAIAHUSXZFY-UHFFFAOYSA-N
XLogP1.72
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-4-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122261630
4-[1-(4-ethylphenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine
CID 122261682
1-[4-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]ethanone
CID 122261669
4-[1-(2,6-difluorophenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine
CID 122261674
4-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine
CID 122261639
4-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]oxy-2-methoxypyrimidine
CID 122261730
2-methoxy-4-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 121161670
3-(2-methoxypyrimidin-4-yl)oxy-N-phenylpiperidine-1-carboxamide
CID 122261563
2-methyl-4-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]oxypyrimidine
CID 122261104
2-[1-(4-tert-butylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122257613
methyl N-[4-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]sulfonylphenyl]carbamate
CID 122261153
2-methoxy-4-[1-(4-propylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 121161690

Frequently Asked Questions

What is the IUPAC name of 4-[1-(benzenesulfonyl)piperidin-3-yl]oxy-2-methoxypyrimidine?
The IUPAC name of 4-[1-(benzenesulfonyl)piperidin-3-yl]oxy-2-methoxypyrimidine (CID 122261625) is 4-[1-(benzenesulfonyl)piperidin-3-yl]oxy-2-methoxypyrimidine.
What is the SMILES notation for 4-[1-(benzenesulfonyl)piperidin-3-yl]oxy-2-methoxypyrimidine?
The canonical SMILES for 4-[1-(benzenesulfonyl)piperidin-3-yl]oxy-2-methoxypyrimidine is COc1nccc(OC2CCCN(S(=O)(=O)c3ccccc3)C2)n1.
What is the InChIKey of 4-[1-(benzenesulfonyl)piperidin-3-yl]oxy-2-methoxypyrimidine?
The InChIKey is VSYKAIAHUSXZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-22-16-17-10-9-15(18-16)23-13-6-5-11-19(12-13)24(20,21)14-7-3-2-4-8-14/h2-4,7-10,13H,5-6,11-12H2,1H3.
What are the key properties of 4-[1-(benzenesulfonyl)piperidin-3-yl]oxy-2-methoxypyrimidine?
4-[1-(benzenesulfonyl)piperidin-3-yl]oxy-2-methoxypyrimidine has a molecular weight of 349.41 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(benzenesulfonyl)piperidin-3-yl]oxy-2-methoxypyrimidine is sourced from PubChem (CID 122261625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).