3-cyclobutyl-1-(4-methoxyphenyl)sulfonyl-4-methylpyrrolidin-3-ol

C16H23NO4S — CID 156603922

IUPAC3-cyclobutyl-1-(4-methoxyphenyl)sulfonyl-4-methylpyrrolidin-3-ol
SMILESCOc1ccc(S(=O)(=O)N2CC(C)C(O)(C3CCC3)C2)cc1
InChIInChI=1S/C16H23NO4S/c1-12-10-17(11-16(12,18)13-4-3-5-13)22(19,20)15-8-6-14(21-2)7-9-15/h6-9,12-13,18H,3-5,10-11H2,1-2H3
InChIKeyWNVCPKZQDROEFL-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.87
Rot. Bonds4

About 3-cyclobutyl-1-(4-methoxyphenyl)sulfonyl-4-methylpyrrolidin-3-ol

3-cyclobutyl-1-(4-methoxyphenyl)sulfonyl-4-methylpyrrolidin-3-ol (PubChem CID 156603922) has the molecular formula C16H23NO4S and a molecular weight of 325.43 g/mol. Its IUPAC name is 3-cyclobutyl-1-(4-methoxyphenyl)sulfonyl-4-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-cyclobutyl-1-(4-methoxyphenyl)sulfonyl-4-methylpyrrolidin-3-ol
PubChem CID156603922
Molecular FormulaC16H23NO4S
Molecular Weight325.43 g/mol
Exact Mass325.13
IUPAC Name3-cyclobutyl-1-(4-methoxyphenyl)sulfonyl-4-methylpyrrolidin-3-ol
SMILESCOc1ccc(S(=O)(=O)N2CC(C)C(O)(C3CCC3)C2)cc1
InChIInChI=1S/C16H23NO4S/c1-12-10-17(11-16(12,18)13-4-3-5-13)22(19,20)15-8-6-14(21-2)7-9-15/h6-9,12-13,18H,3-5,10-11H2,1-2H3
InChIKeyWNVCPKZQDROEFL-UHFFFAOYSA-N
XLogP1.87
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 147806045
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(1R,5S)-3-(4-methoxyphenyl)sulfonyl-9-piperidin-1-yl-3-azabicyclo[3.3.1]nonane
CID 51596402
1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-methylpiperidine
CID 66486087
1-(4-methoxyphenyl)sulfonyl-3-methyl-1,4-diazepane
CID 82249735
4-chloro-1-(4-methoxyphenyl)sulfonyl-3-methylpiperidine
CID 114683611
(2R,5R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2,5-dimethylpiperazine
CID 1294264
7-(4-methoxyphenyl)sulfonyl-7-azabicyclo[4.1.0]heptane
CID 11737230
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 78913202
(2R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2-methylpiperazine
CID 51708398
3-(methoxymethyl)-1-(4-methoxyphenyl)sulfonylpiperidine
CID 121092316
[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 40632286

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1-(4-methoxyphenyl)sulfonyl-4-methylpyrrolidin-3-ol?
The IUPAC name of 3-cyclobutyl-1-(4-methoxyphenyl)sulfonyl-4-methylpyrrolidin-3-ol (CID 156603922) is 3-cyclobutyl-1-(4-methoxyphenyl)sulfonyl-4-methylpyrrolidin-3-ol.
What is the SMILES notation for 3-cyclobutyl-1-(4-methoxyphenyl)sulfonyl-4-methylpyrrolidin-3-ol?
The canonical SMILES for 3-cyclobutyl-1-(4-methoxyphenyl)sulfonyl-4-methylpyrrolidin-3-ol is COc1ccc(S(=O)(=O)N2CC(C)C(O)(C3CCC3)C2)cc1.
What is the InChIKey of 3-cyclobutyl-1-(4-methoxyphenyl)sulfonyl-4-methylpyrrolidin-3-ol?
The InChIKey is WNVCPKZQDROEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4S/c1-12-10-17(11-16(12,18)13-4-3-5-13)22(19,20)15-8-6-14(21-2)7-9-15/h6-9,12-13,18H,3-5,10-11H2,1-2H3.
What are the key properties of 3-cyclobutyl-1-(4-methoxyphenyl)sulfonyl-4-methylpyrrolidin-3-ol?
3-cyclobutyl-1-(4-methoxyphenyl)sulfonyl-4-methylpyrrolidin-3-ol has a molecular weight of 325.43 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-(4-methoxyphenyl)sulfonyl-4-methylpyrrolidin-3-ol is sourced from PubChem (CID 156603922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).