(2S)-2-(3-methoxyphenyl)-1-(4-methoxypiperidin-1-yl)sulfonylpiperidine

C18H28N2O4S — CID 95710602

IUPAC(2S)-2-(3-methoxyphenyl)-1-(4-methoxypiperidin-1-yl)sulfonylpiperidine
SMILESCOc1cccc([C@@H]2CCCCN2S(=O)(=O)N2CCC(OC)CC2)c1
InChIInChI=1S/C18H28N2O4S/c1-23-16-9-12-19(13-10-16)25(21,22)20-11-4-3-8-18(20)15-6-5-7-17(14-15)24-2/h5-7,14,16,18H,3-4,8-13H2,1-2H3/t18-/m0/s1
InChIKeyVWEHQBPRJDNOJI-SFHVURJKSA-N
MW368.50 g/mol
LogP2.58
Rot. Bonds5

About (2S)-2-(3-methoxyphenyl)-1-(4-methoxypiperidin-1-yl)sulfonylpiperidine

(2S)-2-(3-methoxyphenyl)-1-(4-methoxypiperidin-1-yl)sulfonylpiperidine (PubChem CID 95710602) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is (2S)-2-(3-methoxyphenyl)-1-(4-methoxypiperidin-1-yl)sulfonylpiperidine.

Molecular Properties

Compound Name(2S)-2-(3-methoxyphenyl)-1-(4-methoxypiperidin-1-yl)sulfonylpiperidine
PubChem CID95710602
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC Name(2S)-2-(3-methoxyphenyl)-1-(4-methoxypiperidin-1-yl)sulfonylpiperidine
SMILESCOc1cccc([C@@H]2CCCCN2S(=O)(=O)N2CCC(OC)CC2)c1
InChIInChI=1S/C18H28N2O4S/c1-23-16-9-12-19(13-10-16)25(21,22)20-11-4-3-8-18(20)15-6-5-7-17(14-15)24-2/h5-7,14,16,18H,3-4,8-13H2,1-2H3/t18-/m0/s1
InChIKeyVWEHQBPRJDNOJI-SFHVURJKSA-N
XLogP2.58
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-3-methylpiperidine
CID 95131826
(3S)-1-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-3-methylpiperidine
CID 98752346
2-(3-methoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 56918990
2-(3-methoxyphenyl)-1-(2-methoxyphenyl)sulfonylpyrrolidine
CID 51320512
1-(3-fluorophenyl)sulfonyl-2-(3-methoxyphenyl)pyrrolidine
CID 51320506
4-[2-(4-methoxyphenyl)azepan-1-yl]sulfonylmorpholine
CID 51335671
4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole
CID 60960045
1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]sulfonylazepane
CID 46688857
methyl 4-[2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonylbenzoate
CID 51320524
1-[(2R)-2-phenylpyrrolidin-1-yl]sulfonylazepane
CID 31110887
methyl 3-[2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonylbenzoate
CID 46514637
N-[4-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 51531011

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methoxyphenyl)-1-(4-methoxypiperidin-1-yl)sulfonylpiperidine?
The IUPAC name of (2S)-2-(3-methoxyphenyl)-1-(4-methoxypiperidin-1-yl)sulfonylpiperidine (CID 95710602) is (2S)-2-(3-methoxyphenyl)-1-(4-methoxypiperidin-1-yl)sulfonylpiperidine.
What is the SMILES notation for (2S)-2-(3-methoxyphenyl)-1-(4-methoxypiperidin-1-yl)sulfonylpiperidine?
The canonical SMILES for (2S)-2-(3-methoxyphenyl)-1-(4-methoxypiperidin-1-yl)sulfonylpiperidine is COc1cccc([C@@H]2CCCCN2S(=O)(=O)N2CCC(OC)CC2)c1.
What is the InChIKey of (2S)-2-(3-methoxyphenyl)-1-(4-methoxypiperidin-1-yl)sulfonylpiperidine?
The InChIKey is VWEHQBPRJDNOJI-SFHVURJKSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-23-16-9-12-19(13-10-16)25(21,22)20-11-4-3-8-18(20)15-6-5-7-17(14-15)24-2/h5-7,14,16,18H,3-4,8-13H2,1-2H3/t18-/m0/s1.
What are the key properties of (2S)-2-(3-methoxyphenyl)-1-(4-methoxypiperidin-1-yl)sulfonylpiperidine?
(2S)-2-(3-methoxyphenyl)-1-(4-methoxypiperidin-1-yl)sulfonylpiperidine has a molecular weight of 368.50 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methoxyphenyl)-1-(4-methoxypiperidin-1-yl)sulfonylpiperidine is sourced from PubChem (CID 95710602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).