(1R)-2-(benzenesulfonyl)-1-[(2S)-1-tritylaziridin-2-yl]prop-2-en-1-ol

C30H27NO3S — CID 100932574

IUPAC(1R)-2-(benzenesulfonyl)-1-[(2S)-1-tritylaziridin-2-yl]prop-2-en-1-ol
SMILESC=C([C@H](O)[C@@H]1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C30H27NO3S/c1-23(35(33,34)27-20-12-5-13-21-27)29(32)28-22-31(28)30(24-14-6-2-7-15-24,25-16-8-3-9-17-25)26-18-10-4-11-19-26/h2-21,28-29,32H,1,22H2/t28-,29-,31?/m0/s1
InChIKeyCKZKMVVHJFVOJS-MYABOAQRSA-N
MW481.62 g/mol
LogP5.01
Rot. Bonds8

About (1R)-2-(benzenesulfonyl)-1-[(2S)-1-tritylaziridin-2-yl]prop-2-en-1-ol

(1R)-2-(benzenesulfonyl)-1-[(2S)-1-tritylaziridin-2-yl]prop-2-en-1-ol (PubChem CID 100932574) has the molecular formula C30H27NO3S and a molecular weight of 481.62 g/mol. Its IUPAC name is (1R)-2-(benzenesulfonyl)-1-[(2S)-1-tritylaziridin-2-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name(1R)-2-(benzenesulfonyl)-1-[(2S)-1-tritylaziridin-2-yl]prop-2-en-1-ol
PubChem CID100932574
Molecular FormulaC30H27NO3S
Molecular Weight481.62 g/mol
Exact Mass481.17
IUPAC Name(1R)-2-(benzenesulfonyl)-1-[(2S)-1-tritylaziridin-2-yl]prop-2-en-1-ol
SMILESC=C([C@H](O)[C@@H]1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C30H27NO3S/c1-23(35(33,34)27-20-12-5-13-21-27)29(32)28-22-31(28)30(24-14-6-2-7-15-24,25-16-8-3-9-17-25)26-18-10-4-11-19-26/h2-21,28-29,32H,1,22H2/t28-,29-,31?/m0/s1
InChIKeyCKZKMVVHJFVOJS-MYABOAQRSA-N
XLogP5.01
TPSA57.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.62
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1R)-2-(benzenesulfonyl)-1-[(2S)-1-tritylaziridin-2-yl]prop-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(benzenesulfonyl)-1-[(2S)-1-tritylaziridin-2-yl]prop-2-en-1-ol?
The IUPAC name of (1R)-2-(benzenesulfonyl)-1-[(2S)-1-tritylaziridin-2-yl]prop-2-en-1-ol (CID 100932574) is (1R)-2-(benzenesulfonyl)-1-[(2S)-1-tritylaziridin-2-yl]prop-2-en-1-ol.
What is the SMILES notation for (1R)-2-(benzenesulfonyl)-1-[(2S)-1-tritylaziridin-2-yl]prop-2-en-1-ol?
The canonical SMILES for (1R)-2-(benzenesulfonyl)-1-[(2S)-1-tritylaziridin-2-yl]prop-2-en-1-ol is C=C([C@H](O)[C@@H]1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of (1R)-2-(benzenesulfonyl)-1-[(2S)-1-tritylaziridin-2-yl]prop-2-en-1-ol?
The InChIKey is CKZKMVVHJFVOJS-MYABOAQRSA-N. The full InChI is InChI=1S/C30H27NO3S/c1-23(35(33,34)27-20-12-5-13-21-27)29(32)28-22-31(28)30(24-14-6-2-7-15-24,25-16-8-3-9-17-25)26-18-10-4-11-19-26/h2-21,28-29,32H,1,22H2/t28-,29-,31?/m0/s1.
What are the key properties of (1R)-2-(benzenesulfonyl)-1-[(2S)-1-tritylaziridin-2-yl]prop-2-en-1-ol?
(1R)-2-(benzenesulfonyl)-1-[(2S)-1-tritylaziridin-2-yl]prop-2-en-1-ol has a molecular weight of 481.62 g/mol, XLogP of 5.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(benzenesulfonyl)-1-[(2S)-1-tritylaziridin-2-yl]prop-2-en-1-ol is sourced from PubChem (CID 100932574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).