(2R,3R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-3-propan-2-ylazetidine

C15H21NO2S — CID 134927481

IUPAC(2R,3R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-3-propan-2-ylazetidine
SMILESC=C[C@@H]1[C@H](C(C)C)CN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H21NO2S/c1-5-15-14(11(2)3)10-16(15)19(17,18)13-8-6-12(4)7-9-13/h5-9,11,14-15H,1,10H2,2-4H3/t14-,15+/m0/s1
InChIKeyHRCMFJMDSSMHDN-LSDHHAIUSA-N
MW279.41 g/mol
LogP2.83
Rot. Bonds4

About (2R,3R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-3-propan-2-ylazetidine

(2R,3R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-3-propan-2-ylazetidine (PubChem CID 134927481) has the molecular formula C15H21NO2S and a molecular weight of 279.41 g/mol. Its IUPAC name is (2R,3R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-3-propan-2-ylazetidine.

Molecular Properties

Compound Name(2R,3R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-3-propan-2-ylazetidine
PubChem CID134927481
Molecular FormulaC15H21NO2S
Molecular Weight279.41 g/mol
Exact Mass279.13
IUPAC Name(2R,3R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-3-propan-2-ylazetidine
SMILESC=C[C@@H]1[C@H](C(C)C)CN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H21NO2S/c1-5-15-14(11(2)3)10-16(15)19(17,18)13-8-6-12(4)7-9-13/h5-9,11,14-15H,1,10H2,2-4H3/t14-,15+/m0/s1
InChIKeyHRCMFJMDSSMHDN-LSDHHAIUSA-N
XLogP2.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R,3R)-3-benzyl-2-ethenyl-1-(4-methylphenyl)sulfonylazetidine
CID 134926510
3-hydroxy-1-(4-methylphenyl)sulfonyl-4-propan-2-ylpyrrolidine-2-carboxylic acid
CID 69321115
(2S,3R)-2-ethenyl-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonylazetidine
CID 102255866
(2S,5S)-1,4-bis-(4-methylphenyl)sulfonyl-2,5-bis(2-methylpropyl)piperazine
CID 162409644
(2R)-2-but-3-enyl-1-(4-methylphenyl)sulfonylaziridine
CID 102594700
2-ethenyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidine
CID 134965346
(2R,3R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolidine
CID 162399175
4-methyl-1-(4-methylphenyl)sulfonyl-3-methylsulfonyl-2-propan-2-ylimidazolidine
CID 17371171
(1R,4R,6S)-6-ethenyl-2-(4-methylphenyl)sulfonyl-2-azabicyclo[2.2.1]heptane
CID 50900433
(2R)-2-[(2S)-butan-2-yl]-1-(4-methylphenyl)sulfonylaziridine
CID 59088200
[(2R)-1-(4-methylphenyl)sulfonylaziridin-2-yl]methanol
CID 15202390
2-butyl-1-(4-methylphenyl)sulfonylaziridine;hex-1-ene
CID 157340233

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-3-propan-2-ylazetidine?
The IUPAC name of (2R,3R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-3-propan-2-ylazetidine (CID 134927481) is (2R,3R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-3-propan-2-ylazetidine.
What is the SMILES notation for (2R,3R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-3-propan-2-ylazetidine?
The canonical SMILES for (2R,3R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-3-propan-2-ylazetidine is C=C[C@@H]1[C@H](C(C)C)CN1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (2R,3R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-3-propan-2-ylazetidine?
The InChIKey is HRCMFJMDSSMHDN-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-5-15-14(11(2)3)10-16(15)19(17,18)13-8-6-12(4)7-9-13/h5-9,11,14-15H,1,10H2,2-4H3/t14-,15+/m0/s1.
What are the key properties of (2R,3R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-3-propan-2-ylazetidine?
(2R,3R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-3-propan-2-ylazetidine has a molecular weight of 279.41 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-ethenyl-1-(4-methylphenyl)sulfonyl-3-propan-2-ylazetidine is sourced from PubChem (CID 134927481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).