1-(4-methoxyphenyl)sulfonyl-4-(2-methylpropoxy)piperidine

C16H25NO4S — CID 87024962

IUPAC1-(4-methoxyphenyl)sulfonyl-4-(2-methylpropoxy)piperidine
SMILESCOc1ccc(S(=O)(=O)N2CCC(OCC(C)C)CC2)cc1
InChIInChI=1S/C16H25NO4S/c1-13(2)12-21-15-8-10-17(11-9-15)22(18,19)16-6-4-14(20-3)5-7-16/h4-7,13,15H,8-12H2,1-3H3
InChIKeyALJPGVSNVJULTO-UHFFFAOYSA-N
MW327.45 g/mol
LogP2.52
Rot. Bonds6

About 1-(4-methoxyphenyl)sulfonyl-4-(2-methylpropoxy)piperidine

1-(4-methoxyphenyl)sulfonyl-4-(2-methylpropoxy)piperidine (PubChem CID 87024962) has the molecular formula C16H25NO4S and a molecular weight of 327.45 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-4-(2-methylpropoxy)piperidine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-4-(2-methylpropoxy)piperidine
PubChem CID87024962
Molecular FormulaC16H25NO4S
Molecular Weight327.45 g/mol
Exact Mass327.15
IUPAC Name1-(4-methoxyphenyl)sulfonyl-4-(2-methylpropoxy)piperidine
SMILESCOc1ccc(S(=O)(=O)N2CCC(OCC(C)C)CC2)cc1
InChIInChI=1S/C16H25NO4S/c1-13(2)12-21-15-8-10-17(11-9-15)22(18,19)16-6-4-14(20-3)5-7-16/h4-7,13,15H,8-12H2,1-3H3
InChIKeyALJPGVSNVJULTO-UHFFFAOYSA-N
XLogP2.52
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxyphenyl)sulfonyl-1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidine
CID 90592057
2-methylpropyl 1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylate
CID 24557075
1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-methylpiperidine
CID 66486087
N-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-4-methylpentanamide
CID 25465668
2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 90558874
1-(4-methoxyphenyl)sulfonyl-N-[(2R)-1-methoxypropan-2-yl]piperidine-4-carboxamide
CID 7248361
2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-N,N-dimethylethanamine
CID 75416418
N-methyl-1-[1-[4-(2-methylpropoxy)phenyl]sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119978171
N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 100654629
N-[1-(4-methoxyphenoxy)propan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 133167682
1-(4-methoxyphenyl)sulfonylpiperidine-4-carbonyl chloride
CID 42281716
1-[(2R)-butan-2-yl]-4-(4-methoxyphenyl)sulfonylpiperazine
CID 7130162

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-4-(2-methylpropoxy)piperidine?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-4-(2-methylpropoxy)piperidine (CID 87024962) is 1-(4-methoxyphenyl)sulfonyl-4-(2-methylpropoxy)piperidine.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-4-(2-methylpropoxy)piperidine?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-4-(2-methylpropoxy)piperidine is COc1ccc(S(=O)(=O)N2CCC(OCC(C)C)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-4-(2-methylpropoxy)piperidine?
The InChIKey is ALJPGVSNVJULTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4S/c1-13(2)12-21-15-8-10-17(11-9-15)22(18,19)16-6-4-14(20-3)5-7-16/h4-7,13,15H,8-12H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-4-(2-methylpropoxy)piperidine?
1-(4-methoxyphenyl)sulfonyl-4-(2-methylpropoxy)piperidine has a molecular weight of 327.45 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-4-(2-methylpropoxy)piperidine is sourced from PubChem (CID 87024962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).