(2R)-1-tert-butylsulfonyl-2-deuterio-3-pentylaziridine

C11H23NO2S — CID 134999038

IUPAC(2R)-1-tert-butylsulfonyl-2-deuterio-3-pentylaziridine
SMILES[2H][C@@H]1C(CCCCC)N1S(=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/i9D/t9-,10?,12?/m1/s1
InChIKeyONFFGKMVFLYKPT-ORRZCAGQSA-N
MW234.38 g/mol
LogP2.38
Rot. Bonds5

About (2R)-1-tert-butylsulfonyl-2-deuterio-3-pentylaziridine

(2R)-1-tert-butylsulfonyl-2-deuterio-3-pentylaziridine (PubChem CID 134999038) has the molecular formula C11H23NO2S and a molecular weight of 234.38 g/mol. Its IUPAC name is (2R)-1-tert-butylsulfonyl-2-deuterio-3-pentylaziridine.

Molecular Properties

Compound Name(2R)-1-tert-butylsulfonyl-2-deuterio-3-pentylaziridine
PubChem CID134999038
Molecular FormulaC11H23NO2S
Molecular Weight234.38 g/mol
Exact Mass234.15
IUPAC Name(2R)-1-tert-butylsulfonyl-2-deuterio-3-pentylaziridine
SMILES[2H][C@@H]1C(CCCCC)N1S(=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/i9D/t9-,10?,12?/m1/s1
InChIKeyONFFGKMVFLYKPT-ORRZCAGQSA-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 ≤ 500234.38
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 (2R)-1-tert-butylsulfonyl-2-deuterio-3-pentylaziridine 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 (2R)-1-tert-butylsulfonyl-2-deuterio-3-pentylaziridine?
The IUPAC name of (2R)-1-tert-butylsulfonyl-2-deuterio-3-pentylaziridine (CID 134999038) is (2R)-1-tert-butylsulfonyl-2-deuterio-3-pentylaziridine.
What is the SMILES notation for (2R)-1-tert-butylsulfonyl-2-deuterio-3-pentylaziridine?
The canonical SMILES for (2R)-1-tert-butylsulfonyl-2-deuterio-3-pentylaziridine is [2H][C@@H]1C(CCCCC)N1S(=O)(=O)C(C)(C)C.
What is the InChIKey of (2R)-1-tert-butylsulfonyl-2-deuterio-3-pentylaziridine?
The InChIKey is ONFFGKMVFLYKPT-ORRZCAGQSA-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/i9D/t9-,10?,12?/m1/s1.
What are the key properties of (2R)-1-tert-butylsulfonyl-2-deuterio-3-pentylaziridine?
(2R)-1-tert-butylsulfonyl-2-deuterio-3-pentylaziridine has a molecular weight of 234.38 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 (2R)-1-tert-butylsulfonyl-2-deuterio-3-pentylaziridine is sourced from PubChem (CID 134999038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).