2-(methylsulfanylmethyl)-2-phenylaziridine

C10H13NS — CID 123890666

IUPAC2-(methylsulfanylmethyl)-2-phenylaziridine
SMILESCSCC1(c2ccccc2)CN1
InChIInChI=1S/C10H13NS/c1-12-8-10(7-11-10)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3
InChIKeyABRPQJGKVOAKOK-UHFFFAOYSA-N
MW179.29 g/mol
LogP1.85
Rot. Bonds3

About 2-(methylsulfanylmethyl)-2-phenylaziridine

2-(methylsulfanylmethyl)-2-phenylaziridine (PubChem CID 123890666) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is 2-(methylsulfanylmethyl)-2-phenylaziridine.

Molecular Properties

Compound Name2-(methylsulfanylmethyl)-2-phenylaziridine
PubChem CID123890666
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name2-(methylsulfanylmethyl)-2-phenylaziridine
SMILESCSCC1(c2ccccc2)CN1
InChIInChI=1S/C10H13NS/c1-12-8-10(7-11-10)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3
InChIKeyABRPQJGKVOAKOK-UHFFFAOYSA-N
XLogP1.85
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-2,2-dimethyl-3-phenylazetidine
CID 13465232
2-(2-phenylazetidin-2-yl)ethanamine
CID 115059318
2-(2,2-dimethylpropyl)-2-phenylpyrrolidine
CID 115058598
3,6,7-trimethyl-3-(methylsulfanylmethyl)-1-phenylbicyclo[3.3.1]nonane
CID 162525928
4,4-difluoro-2-methyl-2-phenylpyrrolidine;hydrochloride
CID 115039892
2-phenyl-2-propylazepane
CID 79117631
2,2-diethyl-5-methyl-5-phenylpiperazine
CID 64884469
6-methyl-6-phenyl-4-azaspiro[2.5]octane
CID 105453919
3,3-difluoro-4-methyl-4-phenylpyrrolidine
CID 115020965
ethane;1-phenyl-3-azabicyclo[3.2.0]heptane
CID 143290504
1-bromo-3-[1-(methylsulfanylmethyl)cyclopropyl]benzene
CID 115047980
4-ethyl-4-phenyloxathiazolidine 2,2-dioxide
CID 134832744

Frequently Asked Questions

What is the IUPAC name of 2-(methylsulfanylmethyl)-2-phenylaziridine?
The IUPAC name of 2-(methylsulfanylmethyl)-2-phenylaziridine (CID 123890666) is 2-(methylsulfanylmethyl)-2-phenylaziridine.
What is the SMILES notation for 2-(methylsulfanylmethyl)-2-phenylaziridine?
The canonical SMILES for 2-(methylsulfanylmethyl)-2-phenylaziridine is CSCC1(c2ccccc2)CN1.
What is the InChIKey of 2-(methylsulfanylmethyl)-2-phenylaziridine?
The InChIKey is ABRPQJGKVOAKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS/c1-12-8-10(7-11-10)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3.
What are the key properties of 2-(methylsulfanylmethyl)-2-phenylaziridine?
2-(methylsulfanylmethyl)-2-phenylaziridine has a molecular weight of 179.29 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylsulfanylmethyl)-2-phenylaziridine is sourced from PubChem (CID 123890666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).