(2R,3R)-1-tert-butylsulfonyl-2,3-diethylaziridine

C10H21NO2S — CID 101053361

IUPAC(2R,3R)-1-tert-butylsulfonyl-2,3-diethylaziridine
SMILESCC[C@@H]1[C@@H](CC)N1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C10H21NO2S/c1-6-8-9(7-2)11(8)14(12,13)10(3,4)5/h8-9H,6-7H2,1-5H3/t8-,9-/m1/s1
InChIKeyLHIXBDWGDODYSR-RKDXNWHRSA-N
MW219.35 g/mol
LogP1.99
Rot. Bonds3

About (2R,3R)-1-tert-butylsulfonyl-2,3-diethylaziridine

(2R,3R)-1-tert-butylsulfonyl-2,3-diethylaziridine (PubChem CID 101053361) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is (2R,3R)-1-tert-butylsulfonyl-2,3-diethylaziridine.

Molecular Properties

Compound Name(2R,3R)-1-tert-butylsulfonyl-2,3-diethylaziridine
PubChem CID101053361
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name(2R,3R)-1-tert-butylsulfonyl-2,3-diethylaziridine
SMILESCC[C@@H]1[C@@H](CC)N1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C10H21NO2S/c1-6-8-9(7-2)11(8)14(12,13)10(3,4)5/h8-9H,6-7H2,1-5H3/t8-,9-/m1/s1
InChIKeyLHIXBDWGDODYSR-RKDXNWHRSA-N
XLogP1.99
TPSA37.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-tert-butylsulfonyl-2,3-diethylaziridine?
The IUPAC name of (2R,3R)-1-tert-butylsulfonyl-2,3-diethylaziridine (CID 101053361) is (2R,3R)-1-tert-butylsulfonyl-2,3-diethylaziridine.
What is the SMILES notation for (2R,3R)-1-tert-butylsulfonyl-2,3-diethylaziridine?
The canonical SMILES for (2R,3R)-1-tert-butylsulfonyl-2,3-diethylaziridine is CC[C@@H]1[C@@H](CC)N1S(=O)(=O)C(C)(C)C.
What is the InChIKey of (2R,3R)-1-tert-butylsulfonyl-2,3-diethylaziridine?
The InChIKey is LHIXBDWGDODYSR-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-6-8-9(7-2)11(8)14(12,13)10(3,4)5/h8-9H,6-7H2,1-5H3/t8-,9-/m1/s1.
What are the key properties of (2R,3R)-1-tert-butylsulfonyl-2,3-diethylaziridine?
(2R,3R)-1-tert-butylsulfonyl-2,3-diethylaziridine has a molecular weight of 219.35 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-tert-butylsulfonyl-2,3-diethylaziridine is sourced from PubChem (CID 101053361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).