(2S)-1-tert-butylsulfonyl-2-pentylaziridine

C11H23NO2S — CID 101458797

IUPAC(2S)-1-tert-butylsulfonyl-2-pentylaziridine
SMILESCCCCC[C@H]1CN1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H23NO2S/c1-5-6-7-8-10-9-12(10)15(13,14)11(2,3)4/h10H,5-9H2,1-4H3/t10-,12?/m0/s1
InChIKeyONFFGKMVFLYKPT-NUHJPDEHSA-N
MW233.38 g/mol
LogP2.38
Rot. Bonds5

About (2S)-1-tert-butylsulfonyl-2-pentylaziridine

(2S)-1-tert-butylsulfonyl-2-pentylaziridine (PubChem CID 101458797) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is (2S)-1-tert-butylsulfonyl-2-pentylaziridine.

Molecular Properties

Compound Name(2S)-1-tert-butylsulfonyl-2-pentylaziridine
PubChem CID101458797
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name(2S)-1-tert-butylsulfonyl-2-pentylaziridine
SMILESCCCCC[C@H]1CN1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C11H23NO2S/c1-5-6-7-8-10-9-12(10)15(13,14)11(2,3)4/h10H,5-9H2,1-4H3/t10-,12?/m0/s1
InChIKeyONFFGKMVFLYKPT-NUHJPDEHSA-N
XLogP2.38
TPSA37.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-1-tert-butylsulfonyl-2-pentylaziridine 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

1-Tert-butylsulfonyl-2-decylaziridine
CID 73006692
1-Tert-butylsulfonyl-1-azaspiro[2.5]octane
CID 9837542
2-Butyl-1-tert-butylsulfonylaziridine
CID 9859276
(2R)-1-tert-butylsulfonyl-2-decylaziridine
CID 11558540
(2S)-1-[(R)-tert-butylsulfinyl]-2-pentylaziridine
CID 12065544
(2R)-1-[(R)-tert-butylsulfinyl]-2-decylaziridine
CID 25001338
1-Tert-butylsulfonyl-2-pentylaziridine
CID 86040555
(2R,3R)-1-tert-butylsulfonyl-2,3-diethylaziridine
CID 101053361
(2S)-1-tert-butylsulfonyl-2-cyclohexylaziridine
CID 101396855
(1-Tert-butylsulfonyl-3-pentylaziridin-2-yl)-trimethylsilane
CID 102211236
1-[(S)-tert-butylsulfinyl]-2-propylaziridine
CID 134989011
(2R)-1-[(R)-tert-butylsulfinyl]-2-pentylaziridine
CID 134994129

Frequently Asked Questions

What is the IUPAC name of (2S)-1-tert-butylsulfonyl-2-pentylaziridine?
The IUPAC name of (2S)-1-tert-butylsulfonyl-2-pentylaziridine (CID 101458797) is (2S)-1-tert-butylsulfonyl-2-pentylaziridine.
What is the SMILES notation for (2S)-1-tert-butylsulfonyl-2-pentylaziridine?
The canonical SMILES for (2S)-1-tert-butylsulfonyl-2-pentylaziridine is CCCCC[C@H]1CN1S(=O)(=O)C(C)(C)C.
What is the InChIKey of (2S)-1-tert-butylsulfonyl-2-pentylaziridine?
The InChIKey is ONFFGKMVFLYKPT-NUHJPDEHSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-5-6-7-8-10-9-12(10)15(13,14)11(2,3)4/h10H,5-9H2,1-4H3/t10-,12?/m0/s1.
What are the key properties of (2S)-1-tert-butylsulfonyl-2-pentylaziridine?
(2S)-1-tert-butylsulfonyl-2-pentylaziridine has a molecular weight of 233.38 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-tert-butylsulfonyl-2-pentylaziridine is sourced from PubChem (CID 101458797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).