1-[(1R)-1-methyl-6-phenylcyclohexa-2,4-dien-1-yl]sulfonylaziridine

C15H17NO2S — CID 141096612

IUPAC1-[(1R)-1-methyl-6-phenylcyclohexa-2,4-dien-1-yl]sulfonylaziridine
SMILESC[C@@]1(S(=O)(=O)N2CC2)C=CC=CC1c1ccccc1
InChIInChI=1S/C15H17NO2S/c1-15(19(17,18)16-11-12-16)10-6-5-9-14(15)13-7-3-2-4-8-13/h2-10,14H,11-12H2,1H3/t14?,15-/m1/s1
InChIKeyOSOPMHCEKWVEDG-YSSOQSIOSA-N
MW275.37 g/mol
LogP2.30
Rot. Bonds3

About 1-[(1R)-1-methyl-6-phenylcyclohexa-2,4-dien-1-yl]sulfonylaziridine

1-[(1R)-1-methyl-6-phenylcyclohexa-2,4-dien-1-yl]sulfonylaziridine (PubChem CID 141096612) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-[(1R)-1-methyl-6-phenylcyclohexa-2,4-dien-1-yl]sulfonylaziridine.

Molecular Properties

Compound Name1-[(1R)-1-methyl-6-phenylcyclohexa-2,4-dien-1-yl]sulfonylaziridine
PubChem CID141096612
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name1-[(1R)-1-methyl-6-phenylcyclohexa-2,4-dien-1-yl]sulfonylaziridine
SMILESC[C@@]1(S(=O)(=O)N2CC2)C=CC=CC1c1ccccc1
InChIInChI=1S/C15H17NO2S/c1-15(19(17,18)16-11-12-16)10-6-5-9-14(15)13-7-3-2-4-8-13/h2-10,14H,11-12H2,1H3/t14?,15-/m1/s1
InChIKeyOSOPMHCEKWVEDG-YSSOQSIOSA-N
XLogP2.30
TPSA37.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(1R)-1-methyl-6-phenylcyclohexa-2,4-dien-1-yl]sulfonylaziridine with MolForge

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

Launch Full Analysis

Related Compounds

5-chloro-5-methyl-6-phenylcyclohexa-1,3-diene
CID 70549664
3,3-dimethyl-6-phenylcyclohexa-1,4-diene
CID 22450605
5-bromo-5,6-diphenylcyclohexa-1,3-diene
CID 159538084
1-dicyclohexylphosphanyl-N,N-dimethyl-6-phenylcyclohexa-2,4-dien-1-amine
CID 66746742
1-[6-[1-(2-bromophenyl)cyclopentyl]-1-methylcyclohexa-2,4-dien-1-yl]sulfonylpyrrole
CID 165177762
cyclopenta-2,4-dien-1-ylbenzene
CID 10917557
1-methyl-4-methylsulfonyl-2-phenylpiperazine
CID 112511935
4-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]sulfonylmorpholine
CID 97143928
(2,2,5,5-Tetramethyl-3-phenylpyrrolidin-1-yl)oxidanyl
CID 165349143
4-[4-(benzenesulfonyl)piperazin-1-yl]sulfonylaniline
CID 2052130
(4R)-1-methyl-4-phenyl-5-propan-2-ylbicyclo[3.2.2]nona-2,6-diene
CID 162398047
1-tert-butylsulfonyl-4-phenylpiperidine
CID 20680839

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-methyl-6-phenylcyclohexa-2,4-dien-1-yl]sulfonylaziridine?
The IUPAC name of 1-[(1R)-1-methyl-6-phenylcyclohexa-2,4-dien-1-yl]sulfonylaziridine (CID 141096612) is 1-[(1R)-1-methyl-6-phenylcyclohexa-2,4-dien-1-yl]sulfonylaziridine.
What is the SMILES notation for 1-[(1R)-1-methyl-6-phenylcyclohexa-2,4-dien-1-yl]sulfonylaziridine?
The canonical SMILES for 1-[(1R)-1-methyl-6-phenylcyclohexa-2,4-dien-1-yl]sulfonylaziridine is C[C@@]1(S(=O)(=O)N2CC2)C=CC=CC1c1ccccc1.
What is the InChIKey of 1-[(1R)-1-methyl-6-phenylcyclohexa-2,4-dien-1-yl]sulfonylaziridine?
The InChIKey is OSOPMHCEKWVEDG-YSSOQSIOSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-15(19(17,18)16-11-12-16)10-6-5-9-14(15)13-7-3-2-4-8-13/h2-10,14H,11-12H2,1H3/t14?,15-/m1/s1.
What are the key properties of 1-[(1R)-1-methyl-6-phenylcyclohexa-2,4-dien-1-yl]sulfonylaziridine?
1-[(1R)-1-methyl-6-phenylcyclohexa-2,4-dien-1-yl]sulfonylaziridine has a molecular weight of 275.37 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-methyl-6-phenylcyclohexa-2,4-dien-1-yl]sulfonylaziridine is sourced from PubChem (CID 141096612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).