(2R,3S)-2-[(Z)-1-phenylprop-1-enyl]-3-propan-2-yl-1-(2,4,6-trimethylphenyl)sulfonylaziridine

C23H29NO2S — CID 134983776

IUPAC(2R,3S)-2-[(Z)-1-phenylprop-1-enyl]-3-propan-2-yl-1-(2,4,6-trimethylphenyl)sulfonylaziridine
SMILESC/C=C(/c1ccccc1)[C@@H]1[C@H](C(C)C)N1S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C23H29NO2S/c1-7-20(19-11-9-8-10-12-19)22-21(15(2)3)24(22)27(25,26)23-17(5)13-16(4)14-18(23)6/h7-15,21-22H,1-6H3/b20-7-/t21-,22+,24?/m0/s1
InChIKeyRYIIIOOSRAJWQH-OPTXWKSTSA-N
MW383.56 g/mol
LogP5.11
Rot. Bonds5

About (2R,3S)-2-[(Z)-1-phenylprop-1-enyl]-3-propan-2-yl-1-(2,4,6-trimethylphenyl)sulfonylaziridine

(2R,3S)-2-[(Z)-1-phenylprop-1-enyl]-3-propan-2-yl-1-(2,4,6-trimethylphenyl)sulfonylaziridine (PubChem CID 134983776) has the molecular formula C23H29NO2S and a molecular weight of 383.56 g/mol. Its IUPAC name is (2R,3S)-2-[(Z)-1-phenylprop-1-enyl]-3-propan-2-yl-1-(2,4,6-trimethylphenyl)sulfonylaziridine.

Molecular Properties

Compound Name(2R,3S)-2-[(Z)-1-phenylprop-1-enyl]-3-propan-2-yl-1-(2,4,6-trimethylphenyl)sulfonylaziridine
PubChem CID134983776
Molecular FormulaC23H29NO2S
Molecular Weight383.56 g/mol
Exact Mass383.19
IUPAC Name(2R,3S)-2-[(Z)-1-phenylprop-1-enyl]-3-propan-2-yl-1-(2,4,6-trimethylphenyl)sulfonylaziridine
SMILESC/C=C(/c1ccccc1)[C@@H]1[C@H](C(C)C)N1S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C23H29NO2S/c1-7-20(19-11-9-8-10-12-19)22-21(15(2)3)24(22)27(25,26)23-17(5)13-16(4)14-18(23)6/h7-15,21-22H,1-6H3/b20-7-/t21-,22+,24?/m0/s1
InChIKeyRYIIIOOSRAJWQH-OPTXWKSTSA-N
XLogP5.11
TPSA37.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.56
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2S,3R)-2-benzyl-3-[(E)-1-phenylprop-1-enyl]-1-(2,4,6-trimethylphenyl)sulfonylaziridine
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CID 11003510
(2S,4R)-2-(2-methylpropyl)-4-(1-phenylethenyl)-1-(2,4,6-trimethylphenyl)sulfonylazetidine
CID 11058403
(2S,4S)-2-(2-methylpropyl)-4-[1-(3-nitrophenyl)ethenyl]-1-(2,4,6-trimethylphenyl)sulfonylazetidine
CID 11732934
8-(2,4,6-trimethylphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-ol
CID 63763526
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(3S,3aS,9S,9aR)-4-methylidene-9-phenyl-3-propan-2-yl-2-(2,4,6-trimethylphenyl)sulfonyl-3,3a,9,9a-tetrahydro-1H-benzo[f]isoindole
CID 101255729
(2S,3S)-2,3-diphenyl-1,4-bis[(2,4,6-trimethylphenyl)sulfonyl]-1,4-diazepan-6-one
CID 11093403
(4R)-3-(2,4,6-trimethylphenyl)sulfonyl-1,3-thiazolidine-4-carboxylic acid
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(3R)-3-phenyl-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one
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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[(Z)-1-phenylprop-1-enyl]-3-propan-2-yl-1-(2,4,6-trimethylphenyl)sulfonylaziridine?
The IUPAC name of (2R,3S)-2-[(Z)-1-phenylprop-1-enyl]-3-propan-2-yl-1-(2,4,6-trimethylphenyl)sulfonylaziridine (CID 134983776) is (2R,3S)-2-[(Z)-1-phenylprop-1-enyl]-3-propan-2-yl-1-(2,4,6-trimethylphenyl)sulfonylaziridine.
What is the SMILES notation for (2R,3S)-2-[(Z)-1-phenylprop-1-enyl]-3-propan-2-yl-1-(2,4,6-trimethylphenyl)sulfonylaziridine?
The canonical SMILES for (2R,3S)-2-[(Z)-1-phenylprop-1-enyl]-3-propan-2-yl-1-(2,4,6-trimethylphenyl)sulfonylaziridine is C/C=C(/c1ccccc1)[C@@H]1[C@H](C(C)C)N1S(=O)(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of (2R,3S)-2-[(Z)-1-phenylprop-1-enyl]-3-propan-2-yl-1-(2,4,6-trimethylphenyl)sulfonylaziridine?
The InChIKey is RYIIIOOSRAJWQH-OPTXWKSTSA-N. The full InChI is InChI=1S/C23H29NO2S/c1-7-20(19-11-9-8-10-12-19)22-21(15(2)3)24(22)27(25,26)23-17(5)13-16(4)14-18(23)6/h7-15,21-22H,1-6H3/b20-7-/t21-,22+,24?/m0/s1.
What are the key properties of (2R,3S)-2-[(Z)-1-phenylprop-1-enyl]-3-propan-2-yl-1-(2,4,6-trimethylphenyl)sulfonylaziridine?
(2R,3S)-2-[(Z)-1-phenylprop-1-enyl]-3-propan-2-yl-1-(2,4,6-trimethylphenyl)sulfonylaziridine has a molecular weight of 383.56 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[(Z)-1-phenylprop-1-enyl]-3-propan-2-yl-1-(2,4,6-trimethylphenyl)sulfonylaziridine is sourced from PubChem (CID 134983776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).