(2R)-1-[(R)-tert-butylsulfinyl]-2-decylaziridine

C16H33NOS — CID 25001338

IUPAC(2R)-1-[(R)-tert-butylsulfinyl]-2-decylaziridine
SMILESCCCCCCCCCC[C@@H]1CN1[S@](=O)C(C)(C)C
InChIInChI=1S/C16H33NOS/c1-5-6-7-8-9-10-11-12-13-15-14-17(15)19(18)16(2,3)4/h15H,5-14H2,1-4H3/t15-,17?,19-/m1/s1
InChIKeyVVZWSAUWHDMENQ-WUKPUPCQSA-N
MW287.51 g/mol
LogP4.66
Rot. Bonds10

About (2R)-1-[(R)-tert-butylsulfinyl]-2-decylaziridine

(2R)-1-[(R)-tert-butylsulfinyl]-2-decylaziridine (PubChem CID 25001338) has the molecular formula C16H33NOS and a molecular weight of 287.51 g/mol. Its IUPAC name is (2R)-1-[(R)-tert-butylsulfinyl]-2-decylaziridine.

Molecular Properties

Compound Name(2R)-1-[(R)-tert-butylsulfinyl]-2-decylaziridine
PubChem CID25001338
Molecular FormulaC16H33NOS
Molecular Weight287.51 g/mol
Exact Mass287.23
IUPAC Name(2R)-1-[(R)-tert-butylsulfinyl]-2-decylaziridine
SMILESCCCCCCCCCC[C@@H]1CN1[S@](=O)C(C)(C)C
InChIInChI=1S/C16H33NOS/c1-5-6-7-8-9-10-11-12-13-15-14-17(15)19(18)16(2,3)4/h15H,5-14H2,1-4H3/t15-,17?,19-/m1/s1
InChIKeyVVZWSAUWHDMENQ-WUKPUPCQSA-N
XLogP4.66
TPSA20.08 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.51
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(R)-tert-butylsulfinyl]-2-decylaziridine?
The IUPAC name of (2R)-1-[(R)-tert-butylsulfinyl]-2-decylaziridine (CID 25001338) is (2R)-1-[(R)-tert-butylsulfinyl]-2-decylaziridine.
What is the SMILES notation for (2R)-1-[(R)-tert-butylsulfinyl]-2-decylaziridine?
The canonical SMILES for (2R)-1-[(R)-tert-butylsulfinyl]-2-decylaziridine is CCCCCCCCCC[C@@H]1CN1[S@](=O)C(C)(C)C.
What is the InChIKey of (2R)-1-[(R)-tert-butylsulfinyl]-2-decylaziridine?
The InChIKey is VVZWSAUWHDMENQ-WUKPUPCQSA-N. The full InChI is InChI=1S/C16H33NOS/c1-5-6-7-8-9-10-11-12-13-15-14-17(15)19(18)16(2,3)4/h15H,5-14H2,1-4H3/t15-,17?,19-/m1/s1.
What are the key properties of (2R)-1-[(R)-tert-butylsulfinyl]-2-decylaziridine?
(2R)-1-[(R)-tert-butylsulfinyl]-2-decylaziridine has a molecular weight of 287.51 g/mol, XLogP of 4.66, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(R)-tert-butylsulfinyl]-2-decylaziridine is sourced from PubChem (CID 25001338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).