1-(4-propan-2-ylphenyl)sulfonylazetidin-3-ol

C12H17NO3S — CID 55177243

IUPAC1-(4-propan-2-ylphenyl)sulfonylazetidin-3-ol
SMILESCC(C)c1ccc(S(=O)(=O)N2CC(O)C2)cc1
InChIInChI=1S/C12H17NO3S/c1-9(2)10-3-5-12(6-4-10)17(15,16)13-7-11(14)8-13/h3-6,9,11,14H,7-8H2,1-2H3
InChIKeyRJCJQMPASIOZQD-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.18
Rot. Bonds3

About 1-(4-propan-2-ylphenyl)sulfonylazetidin-3-ol

1-(4-propan-2-ylphenyl)sulfonylazetidin-3-ol (PubChem CID 55177243) has the molecular formula C12H17NO3S and a molecular weight of 255.34 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)sulfonylazetidin-3-ol.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)sulfonylazetidin-3-ol
PubChem CID55177243
Molecular FormulaC12H17NO3S
Molecular Weight255.34 g/mol
Exact Mass255.09
IUPAC Name1-(4-propan-2-ylphenyl)sulfonylazetidin-3-ol
SMILESCC(C)c1ccc(S(=O)(=O)N2CC(O)C2)cc1
InChIInChI=1S/C12H17NO3S/c1-9(2)10-3-5-12(6-4-10)17(15,16)13-7-11(14)8-13/h3-6,9,11,14H,7-8H2,1-2H3
InChIKeyRJCJQMPASIOZQD-UHFFFAOYSA-N
XLogP1.18
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-propan-2-ylphenyl)sulfonylazetidin-3-amine
CID 65244701
3,5-dimethyl-1-(4-propan-2-ylphenyl)sulfonylpiperazine;hydrochloride
CID 119980534
1-(4-fluorophenyl)sulfonylazetidin-3-ol
CID 63106433
(3R)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine
CID 94340425
1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 3872906
(4-hydroxypiperidin-1-yl)-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone
CID 134014788
2-methyl-1,4-bis[(4-propan-2-ylphenyl)sulfonyl]piperazine
CID 2899373
1-(4-butan-2-ylphenyl)sulfonylpyrrolidin-3-ol
CID 62917135
ethane;1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-one
CID 143985261
1-propan-2-yl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 113072676
2-methylpropane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 156878015
1-(1-cyclopropylethyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 110708840

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)sulfonylazetidin-3-ol?
The IUPAC name of 1-(4-propan-2-ylphenyl)sulfonylazetidin-3-ol (CID 55177243) is 1-(4-propan-2-ylphenyl)sulfonylazetidin-3-ol.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)sulfonylazetidin-3-ol?
The canonical SMILES for 1-(4-propan-2-ylphenyl)sulfonylazetidin-3-ol is CC(C)c1ccc(S(=O)(=O)N2CC(O)C2)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)sulfonylazetidin-3-ol?
The InChIKey is RJCJQMPASIOZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3S/c1-9(2)10-3-5-12(6-4-10)17(15,16)13-7-11(14)8-13/h3-6,9,11,14H,7-8H2,1-2H3.
What are the key properties of 1-(4-propan-2-ylphenyl)sulfonylazetidin-3-ol?
1-(4-propan-2-ylphenyl)sulfonylazetidin-3-ol has a molecular weight of 255.34 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenyl)sulfonylazetidin-3-ol is sourced from PubChem (CID 55177243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).