(2S)-1-tert-butylsulfonyl-2-cyclohexyl-2-decylaziridine

C22H43NO2S — CID 134884017

IUPAC(2S)-1-tert-butylsulfonyl-2-cyclohexyl-2-decylaziridine
SMILESCCCCCCCCCC[C@]1(C2CCCCC2)CN1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C22H43NO2S/c1-5-6-7-8-9-10-11-15-18-22(20-16-13-12-14-17-20)19-23(22)26(24,25)21(2,3)4/h20H,5-19H2,1-4H3/t22-,23?/m1/s1
InChIKeyCCHKUAUZYXWZLD-WTQRLHSKSA-N
MW385.66 g/mol
LogP6.28
Rot. Bonds11

About (2S)-1-tert-butylsulfonyl-2-cyclohexyl-2-decylaziridine

(2S)-1-tert-butylsulfonyl-2-cyclohexyl-2-decylaziridine (PubChem CID 134884017) has the molecular formula C22H43NO2S and a molecular weight of 385.66 g/mol. Its IUPAC name is (2S)-1-tert-butylsulfonyl-2-cyclohexyl-2-decylaziridine.

Molecular Properties

Compound Name(2S)-1-tert-butylsulfonyl-2-cyclohexyl-2-decylaziridine
PubChem CID134884017
Molecular FormulaC22H43NO2S
Molecular Weight385.66 g/mol
Exact Mass385.30
IUPAC Name(2S)-1-tert-butylsulfonyl-2-cyclohexyl-2-decylaziridine
SMILESCCCCCCCCCC[C@]1(C2CCCCC2)CN1S(=O)(=O)C(C)(C)C
InChIInChI=1S/C22H43NO2S/c1-5-6-7-8-9-10-11-15-18-22(20-16-13-12-14-17-20)19-23(22)26(24,25)21(2,3)4/h20H,5-19H2,1-4H3/t22-,23?/m1/s1
InChIKeyCCHKUAUZYXWZLD-WTQRLHSKSA-N
XLogP6.28
TPSA37.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.66
LogP ≤ 56.28
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-1-azaspiro[2.5]octane
CID 9837542
(2S)-1-tert-butylsulfonyl-2-cyclohexylaziridine
CID 101396855
(2R)-2-tert-butyl-1-tert-butylsulfonyl-2-cyclohexylaziridine
CID 134884043
(2R)-1-tert-butylsulfonyl-2-cyclohexylaziridine
CID 135085944
(2S)-2-(cyclohexylmethyl)-1-propan-2-ylsulfonylaziridine
CID 59088203
2-(Cyclohexylmethyl)-1-propan-2-ylsulfonylaziridine
CID 72512737
2-(Cyclohexylmethyl)-1-propylsulfonylaziridine
CID 88094051
1-(2-Methylpropane-2-sulfonyl)-1-azaspiro[2.11]tetradecane
CID 71406642
1-Tert-butylsulfonyl-1-azaspiro[2.9]dodecane
CID 102211234

Frequently Asked Questions

What is the IUPAC name of (2S)-1-tert-butylsulfonyl-2-cyclohexyl-2-decylaziridine?
The IUPAC name of (2S)-1-tert-butylsulfonyl-2-cyclohexyl-2-decylaziridine (CID 134884017) is (2S)-1-tert-butylsulfonyl-2-cyclohexyl-2-decylaziridine.
What is the SMILES notation for (2S)-1-tert-butylsulfonyl-2-cyclohexyl-2-decylaziridine?
The canonical SMILES for (2S)-1-tert-butylsulfonyl-2-cyclohexyl-2-decylaziridine is CCCCCCCCCC[C@]1(C2CCCCC2)CN1S(=O)(=O)C(C)(C)C.
What is the InChIKey of (2S)-1-tert-butylsulfonyl-2-cyclohexyl-2-decylaziridine?
The InChIKey is CCHKUAUZYXWZLD-WTQRLHSKSA-N. The full InChI is InChI=1S/C22H43NO2S/c1-5-6-7-8-9-10-11-15-18-22(20-16-13-12-14-17-20)19-23(22)26(24,25)21(2,3)4/h20H,5-19H2,1-4H3/t22-,23?/m1/s1.
What are the key properties of (2S)-1-tert-butylsulfonyl-2-cyclohexyl-2-decylaziridine?
(2S)-1-tert-butylsulfonyl-2-cyclohexyl-2-decylaziridine has a molecular weight of 385.66 g/mol, XLogP of 6.28, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-tert-butylsulfonyl-2-cyclohexyl-2-decylaziridine is sourced from PubChem (CID 134884017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).