1-methylsulfonyl-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide

C7H11F3N2O3S — CID 71785531

IUPAC1-methylsulfonyl-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide
SMILESCS(=O)(=O)N1CC(C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C7H11F3N2O3S/c1-16(14,15)12-2-5(3-12)6(13)11-4-7(8,9)10/h5H,2-4H2,1H3,(H,11,13)
InChIKeyHUVYKBDPBDSDPO-UHFFFAOYSA-N
MW260.24 g/mol
LogP-0.44
Rot. Bonds3

About 1-methylsulfonyl-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide

1-methylsulfonyl-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide (PubChem CID 71785531) has the molecular formula C7H11F3N2O3S and a molecular weight of 260.24 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide
PubChem CID71785531
Molecular FormulaC7H11F3N2O3S
Molecular Weight260.24 g/mol
Exact Mass260.04
IUPAC Name1-methylsulfonyl-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide
SMILESCS(=O)(=O)N1CC(C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C7H11F3N2O3S/c1-16(14,15)12-2-5(3-12)6(13)11-4-7(8,9)10/h5H,2-4H2,1H3,(H,11,13)
InChIKeyHUVYKBDPBDSDPO-UHFFFAOYSA-N
XLogP-0.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide (CID 71785531) is 1-methylsulfonyl-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide is CS(=O)(=O)N1CC(C(=O)NCC(F)(F)F)C1.
What is the InChIKey of 1-methylsulfonyl-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide?
The InChIKey is HUVYKBDPBDSDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O3S/c1-16(14,15)12-2-5(3-12)6(13)11-4-7(8,9)10/h5H,2-4H2,1H3,(H,11,13).
What are the key properties of 1-methylsulfonyl-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide?
1-methylsulfonyl-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide has a molecular weight of 260.24 g/mol, XLogP of -0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(2,2,2-trifluoroethyl)azetidine-3-carboxamide is sourced from PubChem (CID 71785531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).