(2R)-1-(4-methylphenyl)sulfinyl-2-phenylazetidine

C16H17NOS — CID 122388943

IUPAC(2R)-1-(4-methylphenyl)sulfinyl-2-phenylazetidine
SMILESCc1ccc(S(=O)N2CC[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C16H17NOS/c1-13-7-9-15(10-8-13)19(18)17-12-11-16(17)14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3/t16-,19?/m1/s1
InChIKeyJBVNLEFRBHLJKB-VTBWFHPJSA-N
MW271.39 g/mol
LogP3.46
Rot. Bonds3

About (2R)-1-(4-methylphenyl)sulfinyl-2-phenylazetidine

(2R)-1-(4-methylphenyl)sulfinyl-2-phenylazetidine (PubChem CID 122388943) has the molecular formula C16H17NOS and a molecular weight of 271.39 g/mol. Its IUPAC name is (2R)-1-(4-methylphenyl)sulfinyl-2-phenylazetidine.

Molecular Properties

Compound Name(2R)-1-(4-methylphenyl)sulfinyl-2-phenylazetidine
PubChem CID122388943
Molecular FormulaC16H17NOS
Molecular Weight271.39 g/mol
Exact Mass271.10
IUPAC Name(2R)-1-(4-methylphenyl)sulfinyl-2-phenylazetidine
SMILESCc1ccc(S(=O)N2CC[C@@H]2c2ccccc2)cc1
InChIInChI=1S/C16H17NOS/c1-13-7-9-15(10-8-13)19(18)17-12-11-16(17)14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3/t16-,19?/m1/s1
InChIKeyJBVNLEFRBHLJKB-VTBWFHPJSA-N
XLogP3.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(S)-(4-methylphenyl)sulfinyl]-2-[(E)-2-phenylethenyl]aziridine
CID 134925711
(2S)-1-(4-methylphenyl)sulfonyl-2-phenylazetidine
CID 16731480
(2S)-1-[(S)-tert-butylsulfinyl]-2-phenylpyrrolidine
CID 71059937
(2R)-1-[(S)-tert-butylsulfinyl]-2-phenylpyrrolidine
CID 11242184
(2R)-3-(benzenesulfonyl)-4-methyl-2-(4-methylphenyl)-1-[(S)-(4-methylphenyl)sulfinyl]-2,5-dihydropyrrole
CID 11048661
1-methyl-2-phenylazetidine
CID 576373
ethyl (2R,6R)-4-hydroxy-1-[(S)-(4-methylphenyl)sulfinyl]-2,6-diphenyl-3,6-dihydro-2H-pyridine-5-carboxylate
CID 54728740
[5-[1-(4-methylphenyl)sulfinylpyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]methanamine
CID 167276892
1,3-bis-(4-methylphenyl)sulfonyl-4-phenyl-1,3-diazinane
CID 164682661
ethane;1-(4-methylphenyl)sulfinylpiperidine
CID 178050291
2-[(R)-(4-methylphenyl)sulfinyl]-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
CID 24795200
(2R,3R)-4-methylidene-1-(4-methylphenyl)sulfinyl-N,N-diphenyl-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 102024757

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methylphenyl)sulfinyl-2-phenylazetidine?
The IUPAC name of (2R)-1-(4-methylphenyl)sulfinyl-2-phenylazetidine (CID 122388943) is (2R)-1-(4-methylphenyl)sulfinyl-2-phenylazetidine.
What is the SMILES notation for (2R)-1-(4-methylphenyl)sulfinyl-2-phenylazetidine?
The canonical SMILES for (2R)-1-(4-methylphenyl)sulfinyl-2-phenylazetidine is Cc1ccc(S(=O)N2CC[C@@H]2c2ccccc2)cc1.
What is the InChIKey of (2R)-1-(4-methylphenyl)sulfinyl-2-phenylazetidine?
The InChIKey is JBVNLEFRBHLJKB-VTBWFHPJSA-N. The full InChI is InChI=1S/C16H17NOS/c1-13-7-9-15(10-8-13)19(18)17-12-11-16(17)14-5-3-2-4-6-14/h2-10,16H,11-12H2,1H3/t16-,19?/m1/s1.
What are the key properties of (2R)-1-(4-methylphenyl)sulfinyl-2-phenylazetidine?
(2R)-1-(4-methylphenyl)sulfinyl-2-phenylazetidine has a molecular weight of 271.39 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-methylphenyl)sulfinyl-2-phenylazetidine is sourced from PubChem (CID 122388943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).