1-methylsulfonyl-2-(2,2,2-trifluoroethyl)aziridine

C5H8F3NO2S — CID 129248463

IUPAC1-methylsulfonyl-2-(2,2,2-trifluoroethyl)aziridine
SMILESCS(=O)(=O)N1CC1CC(F)(F)F
InChIInChI=1S/C5H8F3NO2S/c1-12(10,11)9-3-4(9)2-5(6,7)8/h4H,2-3H2,1H3
InChIKeyZVVZSKNNIQEFEJ-UHFFFAOYSA-N
MW203.18 g/mol
LogP0.58
Rot. Bonds2

About 1-methylsulfonyl-2-(2,2,2-trifluoroethyl)aziridine

1-methylsulfonyl-2-(2,2,2-trifluoroethyl)aziridine (PubChem CID 129248463) has the molecular formula C5H8F3NO2S and a molecular weight of 203.18 g/mol. Its IUPAC name is 1-methylsulfonyl-2-(2,2,2-trifluoroethyl)aziridine.

Molecular Properties

Compound Name1-methylsulfonyl-2-(2,2,2-trifluoroethyl)aziridine
PubChem CID129248463
Molecular FormulaC5H8F3NO2S
Molecular Weight203.18 g/mol
Exact Mass203.02
IUPAC Name1-methylsulfonyl-2-(2,2,2-trifluoroethyl)aziridine
SMILESCS(=O)(=O)N1CC1CC(F)(F)F
InChIInChI=1S/C5H8F3NO2S/c1-12(10,11)9-3-4(9)2-5(6,7)8/h4H,2-3H2,1H3
InChIKeyZVVZSKNNIQEFEJ-UHFFFAOYSA-N
XLogP0.58
TPSA37.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.18
LogP ≤ 50.58
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)-2-propan-2-yl-1-(trifluoromethylsulfonyl)aziridine
CID 12022731
2-(Propan-2-yl)-1-(trifluoromethanesulfonyl)aziridine
CID 23251553
(2R)-2-propan-2-yl-1-(trifluoromethylsulfonyl)aziridine
CID 87665109
N-cyclopropyl-1,1,1-trifluoro-N-methylmethanesulfonamide
CID 90425019
2-(2,2,2-Trifluoroethyl)-1-(trifluoromethylsulfonyl)aziridine
CID 155605859
N-(difluoromethyl)-N-propan-2-ylmethanesulfonamide
CID 164821552
N-(3,3-difluorocyclobutyl)-N-methylmethanesulfonamide
CID 167493676
(2S)-2-methyl-1-(trifluoromethylsulfonyl)aziridine
CID 176222761
N-cyclopropyl-N-(2,2,2-trifluoroethyl)methanesulfonamide
CID 61384898
2-(2-Iodopropan-2-yl)-1-(trifluoromethylsulfonyl)aziridine
CID 102316644
(2S)-2-[(1R)-1-iodoethyl]-1-(trifluoromethylsulfonyl)aziridine
CID 102316645
(2R)-2-[(1S)-1-iodoethyl]-1-(trifluoromethylsulfonyl)aziridine
CID 102316646

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-2-(2,2,2-trifluoroethyl)aziridine?
The IUPAC name of 1-methylsulfonyl-2-(2,2,2-trifluoroethyl)aziridine (CID 129248463) is 1-methylsulfonyl-2-(2,2,2-trifluoroethyl)aziridine.
What is the SMILES notation for 1-methylsulfonyl-2-(2,2,2-trifluoroethyl)aziridine?
The canonical SMILES for 1-methylsulfonyl-2-(2,2,2-trifluoroethyl)aziridine is CS(=O)(=O)N1CC1CC(F)(F)F.
What is the InChIKey of 1-methylsulfonyl-2-(2,2,2-trifluoroethyl)aziridine?
The InChIKey is ZVVZSKNNIQEFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO2S/c1-12(10,11)9-3-4(9)2-5(6,7)8/h4H,2-3H2,1H3.
What are the key properties of 1-methylsulfonyl-2-(2,2,2-trifluoroethyl)aziridine?
1-methylsulfonyl-2-(2,2,2-trifluoroethyl)aziridine has a molecular weight of 203.18 g/mol, XLogP of 0.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-2-(2,2,2-trifluoroethyl)aziridine is sourced from PubChem (CID 129248463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).