(2R)-1-tert-butylsulfonyl-2-decylaziridine

C16H33NO2S — CID 11558540

IUPAC(2R)-1-tert-butylsulfonyl-2-decylaziridine
SMILESCCCCCCCCCC[C@@H]1CN1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C16H33NO2S/c1-5-6-7-8-9-10-11-12-13-15-14-17(15)20(18,19)16(2,3)4/h15H,5-14H2,1-4H3/t15-,17?/m1/s1
InChIKeyVFCPNBZEZFWIOV-LDCVWXEPSA-N
MW303.51 g/mol
LogP4.33
Rot. Bonds10

About (2R)-1-tert-butylsulfonyl-2-decylaziridine

(2R)-1-tert-butylsulfonyl-2-decylaziridine (PubChem CID 11558540) has the molecular formula C16H33NO2S and a molecular weight of 303.51 g/mol. Its IUPAC name is (2R)-1-tert-butylsulfonyl-2-decylaziridine.

Molecular Properties

Compound Name(2R)-1-tert-butylsulfonyl-2-decylaziridine
PubChem CID11558540
Molecular FormulaC16H33NO2S
Molecular Weight303.51 g/mol
Exact Mass303.22
IUPAC Name(2R)-1-tert-butylsulfonyl-2-decylaziridine
SMILESCCCCCCCCCC[C@@H]1CN1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C16H33NO2S/c1-5-6-7-8-9-10-11-12-13-15-14-17(15)20(18,19)16(2,3)4/h15H,5-14H2,1-4H3/t15-,17?/m1/s1
InChIKeyVFCPNBZEZFWIOV-LDCVWXEPSA-N
XLogP4.33
TPSA37.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.51
LogP ≤ 54.33
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'}

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Related Compounds

1-Tert-butylsulfonyl-2-decylaziridine
CID 73006692
2-Butyl-1-tert-butylsulfonylaziridine
CID 9859276
(2S)-1-[(R)-tert-butylsulfinyl]-2-pentylaziridine
CID 12065544
(2R)-1-[(R)-tert-butylsulfinyl]-2-decylaziridine
CID 25001338
1-Tert-butylsulfonyl-2-pentylaziridine
CID 86040555
(2R,3R)-1-tert-butylsulfonyl-2,3-diethylaziridine
CID 101053361
(2S)-1-tert-butylsulfonyl-2-pentylaziridine
CID 101458797
(2R)-1-[(R)-tert-butylsulfinyl]-2-pentylaziridine
CID 134994129
[(2R,3R)-1-tert-butylsulfonyl-3-decylaziridin-2-yl]-trimethylsilane
CID 134998515
(2R)-1-tert-butylsulfonyl-2-deuterio-3-pentylaziridine
CID 134999038
2-Hexyl-3-undecylthiaziridine 1,1-dioxide
CID 20789849
2-Decyl-1-methylsulfonylaziridine
CID 86091170

Frequently Asked Questions

What is the IUPAC name of (2R)-1-tert-butylsulfonyl-2-decylaziridine?
The IUPAC name of (2R)-1-tert-butylsulfonyl-2-decylaziridine (CID 11558540) is (2R)-1-tert-butylsulfonyl-2-decylaziridine.
What is the SMILES notation for (2R)-1-tert-butylsulfonyl-2-decylaziridine?
The canonical SMILES for (2R)-1-tert-butylsulfonyl-2-decylaziridine is CCCCCCCCCC[C@@H]1CN1S(=O)(=O)C(C)(C)C.
What is the InChIKey of (2R)-1-tert-butylsulfonyl-2-decylaziridine?
The InChIKey is VFCPNBZEZFWIOV-LDCVWXEPSA-N. The full InChI is InChI=1S/C16H33NO2S/c1-5-6-7-8-9-10-11-12-13-15-14-17(15)20(18,19)16(2,3)4/h15H,5-14H2,1-4H3/t15-,17?/m1/s1.
What are the key properties of (2R)-1-tert-butylsulfonyl-2-decylaziridine?
(2R)-1-tert-butylsulfonyl-2-decylaziridine has a molecular weight of 303.51 g/mol, XLogP of 4.33, 10 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-decylaziridine is sourced from PubChem (CID 11558540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).