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

C12H18N2O2S — CID 65244701

IUPAC1-(4-propan-2-ylphenyl)sulfonylazetidin-3-amine
SMILESCC(C)c1ccc(S(=O)(=O)N2CC(N)C2)cc1
InChIInChI=1S/C12H18N2O2S/c1-9(2)10-3-5-12(6-4-10)17(15,16)14-7-11(13)8-14/h3-6,9,11H,7-8,13H2,1-2H3
InChIKeyNYUNWALRXJVFON-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.14
Rot. Bonds3

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

1-(4-propan-2-ylphenyl)sulfonylazetidin-3-amine (PubChem CID 65244701) has the molecular formula C12H18N2O2S and a molecular weight of 254.36 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)sulfonylazetidin-3-amine.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)sulfonylazetidin-3-amine
PubChem CID65244701
Molecular FormulaC12H18N2O2S
Molecular Weight254.36 g/mol
Exact Mass254.11
IUPAC Name1-(4-propan-2-ylphenyl)sulfonylazetidin-3-amine
SMILESCC(C)c1ccc(S(=O)(=O)N2CC(N)C2)cc1
InChIInChI=1S/C12H18N2O2S/c1-9(2)10-3-5-12(6-4-10)17(15,16)14-7-11(13)8-14/h3-6,9,11H,7-8,13H2,1-2H3
InChIKeyNYUNWALRXJVFON-UHFFFAOYSA-N
XLogP1.14
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-3-amine
CID 94340425
1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-amine
CID 43605511
1-(4-propan-2-ylphenyl)sulfonylazetidin-3-ol
CID 55177243
3,5-dimethyl-1-(4-propan-2-ylphenyl)sulfonylpiperazine;hydrochloride
CID 119980534
[1-[4-(4-propan-2-ylphenyl)phenyl]sulfonylpyrrolidin-3-yl]methanesulfonamide
CID 171908264
2-methyl-1,4-bis[(4-propan-2-ylphenyl)sulfonyl]piperazine
CID 2899373
2-methylpropane;1-methyl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 156878015
ethane;1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-one
CID 143985261
1-propan-2-yl-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 113072676
1-(1-cyclopropylethyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazine
CID 110708840
4,4-difluoro-1-(4-propan-2-ylphenyl)sulfonylpiperidine
CID 178050421
2-amino-1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]pentan-1-one
CID 119266647

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)sulfonylazetidin-3-amine?
The IUPAC name of 1-(4-propan-2-ylphenyl)sulfonylazetidin-3-amine (CID 65244701) is 1-(4-propan-2-ylphenyl)sulfonylazetidin-3-amine.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)sulfonylazetidin-3-amine?
The canonical SMILES for 1-(4-propan-2-ylphenyl)sulfonylazetidin-3-amine is CC(C)c1ccc(S(=O)(=O)N2CC(N)C2)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)sulfonylazetidin-3-amine?
The InChIKey is NYUNWALRXJVFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-9(2)10-3-5-12(6-4-10)17(15,16)14-7-11(13)8-14/h3-6,9,11H,7-8,13H2,1-2H3.
What are the key properties of 1-(4-propan-2-ylphenyl)sulfonylazetidin-3-amine?
1-(4-propan-2-ylphenyl)sulfonylazetidin-3-amine has a molecular weight of 254.36 g/mol, XLogP of 1.14, 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-amine is sourced from PubChem (CID 65244701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).