(2S)-1-[(R)-tert-butylsulfinyl]-2-cyclohexylaziridine

C12H23NOS — CID 12065543

IUPAC(2S)-1-[(R)-tert-butylsulfinyl]-2-cyclohexylaziridine
SMILESCC(C)(C)[S@@](=O)N1C[C@@H]1C1CCCCC1
InChIInChI=1S/C12H23NOS/c1-12(2,3)15(14)13-9-11(13)10-7-5-4-6-8-10/h10-11H,4-9H2,1-3H3/t11-,13?,15-/m1/s1
InChIKeyOQIRYJSWZKGVIO-IMORHIPNSA-N
MW229.39 g/mol
LogP2.71
Rot. Bonds2

About (2S)-1-[(R)-tert-butylsulfinyl]-2-cyclohexylaziridine

(2S)-1-[(R)-tert-butylsulfinyl]-2-cyclohexylaziridine (PubChem CID 12065543) has the molecular formula C12H23NOS and a molecular weight of 229.39 g/mol. Its IUPAC name is (2S)-1-[(R)-tert-butylsulfinyl]-2-cyclohexylaziridine.

Molecular Properties

Compound Name(2S)-1-[(R)-tert-butylsulfinyl]-2-cyclohexylaziridine
PubChem CID12065543
Molecular FormulaC12H23NOS
Molecular Weight229.39 g/mol
Exact Mass229.15
IUPAC Name(2S)-1-[(R)-tert-butylsulfinyl]-2-cyclohexylaziridine
SMILESCC(C)(C)[S@@](=O)N1C[C@@H]1C1CCCCC1
InChIInChI=1S/C12H23NOS/c1-12(2,3)15(14)13-9-11(13)10-7-5-4-6-8-10/h10-11H,4-9H2,1-3H3/t11-,13?,15-/m1/s1
InChIKeyOQIRYJSWZKGVIO-IMORHIPNSA-N
XLogP2.71
TPSA20.08 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2S)-1-[(R)-tert-butylsulfinyl]-2-cyclohexylaziridine 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 (2S)-1-[(R)-tert-butylsulfinyl]-2-cyclohexylaziridine?
The IUPAC name of (2S)-1-[(R)-tert-butylsulfinyl]-2-cyclohexylaziridine (CID 12065543) is (2S)-1-[(R)-tert-butylsulfinyl]-2-cyclohexylaziridine.
What is the SMILES notation for (2S)-1-[(R)-tert-butylsulfinyl]-2-cyclohexylaziridine?
The canonical SMILES for (2S)-1-[(R)-tert-butylsulfinyl]-2-cyclohexylaziridine is CC(C)(C)[S@@](=O)N1C[C@@H]1C1CCCCC1.
What is the InChIKey of (2S)-1-[(R)-tert-butylsulfinyl]-2-cyclohexylaziridine?
The InChIKey is OQIRYJSWZKGVIO-IMORHIPNSA-N. The full InChI is InChI=1S/C12H23NOS/c1-12(2,3)15(14)13-9-11(13)10-7-5-4-6-8-10/h10-11H,4-9H2,1-3H3/t11-,13?,15-/m1/s1.
What are the key properties of (2S)-1-[(R)-tert-butylsulfinyl]-2-cyclohexylaziridine?
(2S)-1-[(R)-tert-butylsulfinyl]-2-cyclohexylaziridine has a molecular weight of 229.39 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(R)-tert-butylsulfinyl]-2-cyclohexylaziridine is sourced from PubChem (CID 12065543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).