(2R)-2-decyl-1-methylsulfonylaziridine

C13H27NO2S — CID 101386895

IUPAC(2R)-2-decyl-1-methylsulfonylaziridine
SMILESCCCCCCCCCC[C@@H]1CN1S(C)(=O)=O
InChIInChI=1S/C13H27NO2S/c1-3-4-5-6-7-8-9-10-11-13-12-14(13)17(2,15)16/h13H,3-12H2,1-2H3/t13-,14?/m1/s1
InChIKeyVCSGZILOLDVKKB-KWCCSABGSA-N
MW261.43 g/mol
LogP3.16
Rot. Bonds10

About (2R)-2-decyl-1-methylsulfonylaziridine

(2R)-2-decyl-1-methylsulfonylaziridine (PubChem CID 101386895) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is (2R)-2-decyl-1-methylsulfonylaziridine.

Molecular Properties

Compound Name(2R)-2-decyl-1-methylsulfonylaziridine
PubChem CID101386895
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC Name(2R)-2-decyl-1-methylsulfonylaziridine
SMILESCCCCCCCCCC[C@@H]1CN1S(C)(=O)=O
InChIInChI=1S/C13H27NO2S/c1-3-4-5-6-7-8-9-10-11-13-12-14(13)17(2,15)16/h13H,3-12H2,1-2H3/t13-,14?/m1/s1
InChIKeyVCSGZILOLDVKKB-KWCCSABGSA-N
XLogP3.16
TPSA37.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 53.16
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

N-cycloheptyl-N-methylmethanesulfonamide
CID 53516552
(2R,3R)-2,3-dipropyl-1-(trifluoromethylsulfonyl)aziridine
CID 56641582
(2S,3R)-2,3-dipropyl-1-(trifluoromethylsulfonyl)aziridine
CID 102306726
(2S)-2-octyl-1-(trifluoromethylsulfonyl)aziridine
CID 177854972
1-Tert-butylsulfonyl-2-decylaziridine
CID 73006692
Methylsulphonamide, N-ethyl-N-octyl-
CID 91715476
Methylsulphonamide, N-ethyl-N-nonyl-
CID 91715477
Methylsulphonamide, N-ethyl-N-undecyl-
CID 91715479
2-Butyl-1-tert-butylsulfonylaziridine
CID 9859276
(2R)-1-tert-butylsulfonyl-2-decylaziridine
CID 11558540
1-Tert-butylsulfonyl-2-pentylaziridine
CID 86040555
(2S)-1-tert-butylsulfonyl-2-pentylaziridine
CID 101458797

Frequently Asked Questions

What is the IUPAC name of (2R)-2-decyl-1-methylsulfonylaziridine?
The IUPAC name of (2R)-2-decyl-1-methylsulfonylaziridine (CID 101386895) is (2R)-2-decyl-1-methylsulfonylaziridine.
What is the SMILES notation for (2R)-2-decyl-1-methylsulfonylaziridine?
The canonical SMILES for (2R)-2-decyl-1-methylsulfonylaziridine is CCCCCCCCCC[C@@H]1CN1S(C)(=O)=O.
What is the InChIKey of (2R)-2-decyl-1-methylsulfonylaziridine?
The InChIKey is VCSGZILOLDVKKB-KWCCSABGSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-3-4-5-6-7-8-9-10-11-13-12-14(13)17(2,15)16/h13H,3-12H2,1-2H3/t13-,14?/m1/s1.
What are the key properties of (2R)-2-decyl-1-methylsulfonylaziridine?
(2R)-2-decyl-1-methylsulfonylaziridine has a molecular weight of 261.43 g/mol, XLogP of 3.16, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-decyl-1-methylsulfonylaziridine is sourced from PubChem (CID 101386895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).