(2S)-1-bromo-2-methylaziridine

C3H6BrN — CID 134926712

IUPAC(2S)-1-bromo-2-methylaziridine
SMILESC[C@H]1CN1Br
InChIInChI=1S/C3H6BrN/c1-3-2-5(3)4/h3H,2H2,1H3/t3-,5?/m0/s1
InChIKeyBIZFIPHNVSFBLB-WWLRPLJCSA-N
MW135.99 g/mol
LogP1.00
Rot. Bonds

About (2S)-1-bromo-2-methylaziridine

(2S)-1-bromo-2-methylaziridine (PubChem CID 134926712) has the molecular formula C3H6BrN and a molecular weight of 135.99 g/mol. Its IUPAC name is (2S)-1-bromo-2-methylaziridine.

Molecular Properties

Compound Name(2S)-1-bromo-2-methylaziridine
PubChem CID134926712
Molecular FormulaC3H6BrN
Molecular Weight135.99 g/mol
Exact Mass134.97
IUPAC Name(2S)-1-bromo-2-methylaziridine
SMILESC[C@H]1CN1Br
InChIInChI=1S/C3H6BrN/c1-3-2-5(3)4/h3H,2H2,1H3/t3-,5?/m0/s1
InChIKeyBIZFIPHNVSFBLB-WWLRPLJCSA-N
XLogP1.00
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.99
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-iodo-2-methylaziridine
CID 139722499
(2R)-2-methyl-1-oxidoaziridine
CID 101244990
(2R,5S)-1,4-dichloro-2,5-dimethylpiperazine
CID 129411829
(2,5-dimethyl-4-silylpiperazin-1-yl)silane
CID 123216940
(2S,5S)-1,4-dihydroxy-2,5-dimethylpiperazine
CID 175346878
ethane;1,2,4,5-tetramethylpiperazine
CID 164865311
1-bromo-2-propylaziridine
CID 544623
1-tert-butyl-2-methylaziridine
CID 15557486
1,2,4,6-tetramethylpiperazine
CID 22088083
(2S)-1-cyclopropyl-2-methylaziridine
CID 147795465
2-methyl-1-phosphorosoaziridine
CID 54573536
(2-methylaziridin-1-yl)phosphinous acid
CID 118349133

Frequently Asked Questions

What is the IUPAC name of (2S)-1-bromo-2-methylaziridine?
The IUPAC name of (2S)-1-bromo-2-methylaziridine (CID 134926712) is (2S)-1-bromo-2-methylaziridine.
What is the SMILES notation for (2S)-1-bromo-2-methylaziridine?
The canonical SMILES for (2S)-1-bromo-2-methylaziridine is C[C@H]1CN1Br.
What is the InChIKey of (2S)-1-bromo-2-methylaziridine?
The InChIKey is BIZFIPHNVSFBLB-WWLRPLJCSA-N. The full InChI is InChI=1S/C3H6BrN/c1-3-2-5(3)4/h3H,2H2,1H3/t3-,5?/m0/s1.
What are the key properties of (2S)-1-bromo-2-methylaziridine?
(2S)-1-bromo-2-methylaziridine has a molecular weight of 135.99 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-bromo-2-methylaziridine is sourced from PubChem (CID 134926712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).