1-(5-tert-butyl-2-methylphenyl)sulfonylazetidin-3-ol

C14H21NO3S — CID 78924731

IUPAC1-(5-tert-butyl-2-methylphenyl)sulfonylazetidin-3-ol
SMILESCc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CC(O)C1
InChIInChI=1S/C14H21NO3S/c1-10-5-6-11(14(2,3)4)7-13(10)19(17,18)15-8-12(16)9-15/h5-7,12,16H,8-9H2,1-4H3
InChIKeyDWFAZMGRKONAEN-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.66
Rot. Bonds2

About 1-(5-tert-butyl-2-methylphenyl)sulfonylazetidin-3-ol

1-(5-tert-butyl-2-methylphenyl)sulfonylazetidin-3-ol (PubChem CID 78924731) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is 1-(5-tert-butyl-2-methylphenyl)sulfonylazetidin-3-ol.

Molecular Properties

Compound Name1-(5-tert-butyl-2-methylphenyl)sulfonylazetidin-3-ol
PubChem CID78924731
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name1-(5-tert-butyl-2-methylphenyl)sulfonylazetidin-3-ol
SMILESCc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CC(O)C1
InChIInChI=1S/C14H21NO3S/c1-10-5-6-11(14(2,3)4)7-13(10)19(17,18)15-8-12(16)9-15/h5-7,12,16H,8-9H2,1-4H3
InChIKeyDWFAZMGRKONAEN-UHFFFAOYSA-N
XLogP1.66
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-1-(2,5-dimethylphenyl)sulfonylpyrrolidine-3,4-diol
CID 71683265
1-(5-tert-butyl-2-methylphenyl)sulfonylpiperidine-4-carboxylic acid
CID 4961988
1-(5-tert-butyl-2-methylphenyl)sulfonyl-4-(1-methylpiperidin-3-yl)piperazine
CID 86959903
(3S,4R)-1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidine-3,4-diol
CID 79410588
2-[4-(5-tert-butyl-2-methylphenyl)sulfonylpiperazin-1-yl]ethanol
CID 2495559
1-(3-amino-2,4-dimethylphenyl)sulfonylazetidin-3-ol
CID 114240450
1-[2-chloro-5-(trifluoromethyl)phenyl]sulfonylazetidin-3-ol
CID 63105321
1-(5-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 55130963
(3R)-1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291641
1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-ol
CID 62918645
ethyl 1-(5-tert-butyl-2-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 3905235
3-(3,4-dihydroxypyrrolidin-1-yl)sulfonyl-4-methylbenzonitrile
CID 106669480

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2-methylphenyl)sulfonylazetidin-3-ol?
The IUPAC name of 1-(5-tert-butyl-2-methylphenyl)sulfonylazetidin-3-ol (CID 78924731) is 1-(5-tert-butyl-2-methylphenyl)sulfonylazetidin-3-ol.
What is the SMILES notation for 1-(5-tert-butyl-2-methylphenyl)sulfonylazetidin-3-ol?
The canonical SMILES for 1-(5-tert-butyl-2-methylphenyl)sulfonylazetidin-3-ol is Cc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CC(O)C1.
What is the InChIKey of 1-(5-tert-butyl-2-methylphenyl)sulfonylazetidin-3-ol?
The InChIKey is DWFAZMGRKONAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-10-5-6-11(14(2,3)4)7-13(10)19(17,18)15-8-12(16)9-15/h5-7,12,16H,8-9H2,1-4H3.
What are the key properties of 1-(5-tert-butyl-2-methylphenyl)sulfonylazetidin-3-ol?
1-(5-tert-butyl-2-methylphenyl)sulfonylazetidin-3-ol has a molecular weight of 283.39 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2-methylphenyl)sulfonylazetidin-3-ol is sourced from PubChem (CID 78924731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).