(2R)-1-benzyl-2-(ethylsulfanylmethyl)aziridine

C12H17NS — CID 101363841

IUPAC(2R)-1-benzyl-2-(ethylsulfanylmethyl)aziridine
SMILESCCSC[C@H]1CN1Cc1ccccc1
InChIInChI=1S/C12H17NS/c1-2-14-10-12-9-13(12)8-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3/t12-,13?/m1/s1
InChIKeyWEBNETUEOYGOJZ-PZORYLMUSA-N
MW207.34 g/mol
LogP2.62
Rot. Bonds5

About (2R)-1-benzyl-2-(ethylsulfanylmethyl)aziridine

(2R)-1-benzyl-2-(ethylsulfanylmethyl)aziridine (PubChem CID 101363841) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is (2R)-1-benzyl-2-(ethylsulfanylmethyl)aziridine.

Molecular Properties

Compound Name(2R)-1-benzyl-2-(ethylsulfanylmethyl)aziridine
PubChem CID101363841
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name(2R)-1-benzyl-2-(ethylsulfanylmethyl)aziridine
SMILESCCSC[C@H]1CN1Cc1ccccc1
InChIInChI=1S/C12H17NS/c1-2-14-10-12-9-13(12)8-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3/t12-,13?/m1/s1
InChIKeyWEBNETUEOYGOJZ-PZORYLMUSA-N
XLogP2.62
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,5S,8S)-1,4-dibenzyl-7-[2-[(2S,5S,8S)-4,7-dibenzyl-2,5,8-triethyl-1,4,7-triazonan-1-yl]ethyl]-2,5,8-triethyl-1,4,7-triazonane
CID 171735293
(2R)-1-benzyl-2-(phenylmethoxymethyl)aziridine
CID 54001693
(1S,4S)-2-benzyl-5-(dimethylphosphorylmethyl)-2,5-diazabicyclo[2.2.1]heptane
CID 166403005
(2R,5R,8R,11R)-1,7-dibenzyl-2,5,8,11-tetraethyl-1,7-diaza-4,10-diazoniacyclododecane dibromide
CID 139057047
(2R)-1-[(4-methoxyphenyl)methyl]-2-[[[(2R)-1-[(4-methoxyphenyl)methyl]aziridin-2-yl]methyldisulfanyl]methyl]aziridine
CID 101363840
[(2R,4S)-1-benzyl-4-methylpyrrolidin-2-yl]methanol
CID 23248612
(4S)-1-benzyl-2,4-dimethylpyrrolidine
CID 118651465
(2S,4R)-1-benzyl-2,4-dimethylpyrrolidine
CID 15316822
[(2R,5R)-4-benzyl-5-ethylmorpholin-2-yl]methanol
CID 146573821
1-benzyl-2-[(3-chlorophenoxy)methyl]aziridine
CID 86236377
(2R,4R)-1-benzyl-4-tert-butyl-2-(chloromethyl)pyrrolidine
CID 15503448
1-benzyl-2-[[4-[2-[4-[(1-benzylaziridin-2-yl)methoxy]phenyl]propan-2-yl]phenoxy]methyl]aziridine
CID 137491895

Frequently Asked Questions

What is the IUPAC name of (2R)-1-benzyl-2-(ethylsulfanylmethyl)aziridine?
The IUPAC name of (2R)-1-benzyl-2-(ethylsulfanylmethyl)aziridine (CID 101363841) is (2R)-1-benzyl-2-(ethylsulfanylmethyl)aziridine.
What is the SMILES notation for (2R)-1-benzyl-2-(ethylsulfanylmethyl)aziridine?
The canonical SMILES for (2R)-1-benzyl-2-(ethylsulfanylmethyl)aziridine is CCSC[C@H]1CN1Cc1ccccc1.
What is the InChIKey of (2R)-1-benzyl-2-(ethylsulfanylmethyl)aziridine?
The InChIKey is WEBNETUEOYGOJZ-PZORYLMUSA-N. The full InChI is InChI=1S/C12H17NS/c1-2-14-10-12-9-13(12)8-11-6-4-3-5-7-11/h3-7,12H,2,8-10H2,1H3/t12-,13?/m1/s1.
What are the key properties of (2R)-1-benzyl-2-(ethylsulfanylmethyl)aziridine?
(2R)-1-benzyl-2-(ethylsulfanylmethyl)aziridine has a molecular weight of 207.34 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-benzyl-2-(ethylsulfanylmethyl)aziridine is sourced from PubChem (CID 101363841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).