1-(4-butan-2-ylphenyl)sulfonylpyrrolidin-3-ol

C14H21NO3S — CID 62917135

IUPAC1-(4-butan-2-ylphenyl)sulfonylpyrrolidin-3-ol
SMILESCCC(C)c1ccc(S(=O)(=O)N2CCC(O)C2)cc1
InChIInChI=1S/C14H21NO3S/c1-3-11(2)12-4-6-14(7-5-12)19(17,18)15-9-8-13(16)10-15/h4-7,11,13,16H,3,8-10H2,1-2H3
InChIKeyFUWZWNWTYAEJHL-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.96
Rot. Bonds4

About 1-(4-butan-2-ylphenyl)sulfonylpyrrolidin-3-ol

1-(4-butan-2-ylphenyl)sulfonylpyrrolidin-3-ol (PubChem CID 62917135) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 1-(4-butan-2-ylphenyl)sulfonylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(4-butan-2-ylphenyl)sulfonylpyrrolidin-3-ol
PubChem CID62917135
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name1-(4-butan-2-ylphenyl)sulfonylpyrrolidin-3-ol
SMILESCCC(C)c1ccc(S(=O)(=O)N2CCC(O)C2)cc1
InChIInChI=1S/C14H21NO3S/c1-3-11(2)12-4-6-14(7-5-12)19(17,18)15-9-8-13(16)10-15/h4-7,11,13,16H,3,8-10H2,1-2H3
InChIKeyFUWZWNWTYAEJHL-UHFFFAOYSA-N
XLogP1.96
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylphenyl)sulfonylpyrrolidin-3-ol
CID 55133087
1-(4-butan-2-ylphenyl)sulfonyl-N,N-diethylpiperidine-4-carboxamide
CID 86870457
[1-(4-butan-2-ylphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119963645
(3S)-1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol
CID 79031039
N-[[1-(4-butan-2-ylphenyl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990196
(3R)-1-(4-propylphenyl)sulfonylpyrrolidin-3-ol
CID 66291747
1-(4-butan-2-ylphenyl)sulfonylazepane
CID 19682627
(3R)-1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-ol
CID 66291356
(2S)-4-(4-butan-2-ylphenyl)sulfonylpiperazine-2-carboxylic acid
CID 136588996
1-(4-iodophenyl)sulfonylpyrrolidin-3-ol
CID 62918644
1-(4-propoxyphenyl)sulfonylpyrrolidin-3-ol
CID 62917470
[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-cyclobutylmethanone
CID 7944162

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylphenyl)sulfonylpyrrolidin-3-ol?
The IUPAC name of 1-(4-butan-2-ylphenyl)sulfonylpyrrolidin-3-ol (CID 62917135) is 1-(4-butan-2-ylphenyl)sulfonylpyrrolidin-3-ol.
What is the SMILES notation for 1-(4-butan-2-ylphenyl)sulfonylpyrrolidin-3-ol?
The canonical SMILES for 1-(4-butan-2-ylphenyl)sulfonylpyrrolidin-3-ol is CCC(C)c1ccc(S(=O)(=O)N2CCC(O)C2)cc1.
What is the InChIKey of 1-(4-butan-2-ylphenyl)sulfonylpyrrolidin-3-ol?
The InChIKey is FUWZWNWTYAEJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-3-11(2)12-4-6-14(7-5-12)19(17,18)15-9-8-13(16)10-15/h4-7,11,13,16H,3,8-10H2,1-2H3.
What are the key properties of 1-(4-butan-2-ylphenyl)sulfonylpyrrolidin-3-ol?
1-(4-butan-2-ylphenyl)sulfonylpyrrolidin-3-ol has a molecular weight of 283.39 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylphenyl)sulfonylpyrrolidin-3-ol is sourced from PubChem (CID 62917135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).