(2S)-1-[(R)-tert-butylsulfinyl]-2-pentylaziridine

C11H23NOS — CID 12065544

IUPAC(2S)-1-[(R)-tert-butylsulfinyl]-2-pentylaziridine
SMILESCCCCC[C@H]1CN1[S@](=O)C(C)(C)C
InChIInChI=1S/C11H23NOS/c1-5-6-7-8-10-9-12(10)14(13)11(2,3)4/h10H,5-9H2,1-4H3/t10-,12?,14+/m0/s1
InChIKeyPJZBUSOJKNQMRR-RCYCPFCNSA-N
MW217.38 g/mol
LogP2.71
Rot. Bonds5

About (2S)-1-[(R)-tert-butylsulfinyl]-2-pentylaziridine

(2S)-1-[(R)-tert-butylsulfinyl]-2-pentylaziridine (PubChem CID 12065544) has the molecular formula C11H23NOS and a molecular weight of 217.38 g/mol. Its IUPAC name is (2S)-1-[(R)-tert-butylsulfinyl]-2-pentylaziridine.

Molecular Properties

Compound Name(2S)-1-[(R)-tert-butylsulfinyl]-2-pentylaziridine
PubChem CID12065544
Molecular FormulaC11H23NOS
Molecular Weight217.38 g/mol
Exact Mass217.15
IUPAC Name(2S)-1-[(R)-tert-butylsulfinyl]-2-pentylaziridine
SMILESCCCCC[C@H]1CN1[S@](=O)C(C)(C)C
InChIInChI=1S/C11H23NOS/c1-5-6-7-8-10-9-12(10)14(13)11(2,3)4/h10H,5-9H2,1-4H3/t10-,12?,14+/m0/s1
InChIKeyPJZBUSOJKNQMRR-RCYCPFCNSA-N
XLogP2.71
TPSA20.08 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 52.71
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 (2S)-1-[(R)-tert-butylsulfinyl]-2-pentylaziridine?
The IUPAC name of (2S)-1-[(R)-tert-butylsulfinyl]-2-pentylaziridine (CID 12065544) is (2S)-1-[(R)-tert-butylsulfinyl]-2-pentylaziridine.
What is the SMILES notation for (2S)-1-[(R)-tert-butylsulfinyl]-2-pentylaziridine?
The canonical SMILES for (2S)-1-[(R)-tert-butylsulfinyl]-2-pentylaziridine is CCCCC[C@H]1CN1[S@](=O)C(C)(C)C.
What is the InChIKey of (2S)-1-[(R)-tert-butylsulfinyl]-2-pentylaziridine?
The InChIKey is PJZBUSOJKNQMRR-RCYCPFCNSA-N. The full InChI is InChI=1S/C11H23NOS/c1-5-6-7-8-10-9-12(10)14(13)11(2,3)4/h10H,5-9H2,1-4H3/t10-,12?,14+/m0/s1.
What are the key properties of (2S)-1-[(R)-tert-butylsulfinyl]-2-pentylaziridine?
(2S)-1-[(R)-tert-butylsulfinyl]-2-pentylaziridine has a molecular weight of 217.38 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(R)-tert-butylsulfinyl]-2-pentylaziridine is sourced from PubChem (CID 12065544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).