(2R)-2-tert-butyl-1-tert-butylsulfonyl-2-cyclohexylaziridine

C16H31NO2S — CID 134884043

IUPAC(2R)-2-tert-butyl-1-tert-butylsulfonyl-2-cyclohexylaziridine
SMILESCC(C)(C)[C@]1(C2CCCCC2)CN1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C16H31NO2S/c1-14(2,3)16(13-10-8-7-9-11-13)12-17(16)20(18,19)15(4,5)6/h13H,7-12H2,1-6H3/t16-,17?/m1/s1
InChIKeyRYTZCSWOTVDBEL-TZHYSIJRSA-N
MW301.50 g/mol
LogP3.80
Rot. Bonds2

About (2R)-2-tert-butyl-1-tert-butylsulfonyl-2-cyclohexylaziridine

(2R)-2-tert-butyl-1-tert-butylsulfonyl-2-cyclohexylaziridine (PubChem CID 134884043) has the molecular formula C16H31NO2S and a molecular weight of 301.50 g/mol. Its IUPAC name is (2R)-2-tert-butyl-1-tert-butylsulfonyl-2-cyclohexylaziridine.

Molecular Properties

Compound Name(2R)-2-tert-butyl-1-tert-butylsulfonyl-2-cyclohexylaziridine
PubChem CID134884043
Molecular FormulaC16H31NO2S
Molecular Weight301.50 g/mol
Exact Mass301.21
IUPAC Name(2R)-2-tert-butyl-1-tert-butylsulfonyl-2-cyclohexylaziridine
SMILESCC(C)(C)[C@]1(C2CCCCC2)CN1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C16H31NO2S/c1-14(2,3)16(13-10-8-7-9-11-13)12-17(16)20(18,19)15(4,5)6/h13H,7-12H2,1-6H3/t16-,17?/m1/s1
InChIKeyRYTZCSWOTVDBEL-TZHYSIJRSA-N
XLogP3.80
TPSA37.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.50
LogP ≤ 53.80
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)-2-tert-butyl-1-tert-butylsulfonyl-2-cyclohexylaziridine?
The IUPAC name of (2R)-2-tert-butyl-1-tert-butylsulfonyl-2-cyclohexylaziridine (CID 134884043) is (2R)-2-tert-butyl-1-tert-butylsulfonyl-2-cyclohexylaziridine.
What is the SMILES notation for (2R)-2-tert-butyl-1-tert-butylsulfonyl-2-cyclohexylaziridine?
The canonical SMILES for (2R)-2-tert-butyl-1-tert-butylsulfonyl-2-cyclohexylaziridine is CC(C)(C)[C@]1(C2CCCCC2)CN1S(=O)(=O)C(C)(C)C.
What is the InChIKey of (2R)-2-tert-butyl-1-tert-butylsulfonyl-2-cyclohexylaziridine?
The InChIKey is RYTZCSWOTVDBEL-TZHYSIJRSA-N. The full InChI is InChI=1S/C16H31NO2S/c1-14(2,3)16(13-10-8-7-9-11-13)12-17(16)20(18,19)15(4,5)6/h13H,7-12H2,1-6H3/t16-,17?/m1/s1.
What are the key properties of (2R)-2-tert-butyl-1-tert-butylsulfonyl-2-cyclohexylaziridine?
(2R)-2-tert-butyl-1-tert-butylsulfonyl-2-cyclohexylaziridine has a molecular weight of 301.50 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-tert-butyl-1-tert-butylsulfonyl-2-cyclohexylaziridine is sourced from PubChem (CID 134884043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).