[4-(trifluoromethyl)piperidin-1-yl] N-sulfonylcarbamate

C7H9F3N2O4S — CID 175127797

IUPAC[4-(trifluoromethyl)piperidin-1-yl] N-sulfonylcarbamate
SMILESO=C(N=S(=O)=O)ON1CCC(C(F)(F)F)CC1
InChIInChI=1S/C7H9F3N2O4S/c8-7(9,10)5-1-3-12(4-2-5)16-6(13)11-17(14)15/h5H,1-4H2
InChIKeyNYAUMRHXQKPIHX-UHFFFAOYSA-N
MW274.22 g/mol
LogP1.38
Rot. Bonds1

About [4-(trifluoromethyl)piperidin-1-yl] N-sulfonylcarbamate

[4-(trifluoromethyl)piperidin-1-yl] N-sulfonylcarbamate (PubChem CID 175127797) has the molecular formula C7H9F3N2O4S and a molecular weight of 274.22 g/mol. Its IUPAC name is [4-(trifluoromethyl)piperidin-1-yl] N-sulfonylcarbamate.

Molecular Properties

Compound Name[4-(trifluoromethyl)piperidin-1-yl] N-sulfonylcarbamate
PubChem CID175127797
Molecular FormulaC7H9F3N2O4S
Molecular Weight274.22 g/mol
Exact Mass274.02
IUPAC Name[4-(trifluoromethyl)piperidin-1-yl] N-sulfonylcarbamate
SMILESO=C(N=S(=O)=O)ON1CCC(C(F)(F)F)CC1
InChIInChI=1S/C7H9F3N2O4S/c8-7(9,10)5-1-3-12(4-2-5)16-6(13)11-17(14)15/h5H,1-4H2
InChIKeyNYAUMRHXQKPIHX-UHFFFAOYSA-N
XLogP1.38
TPSA76.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.22
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(trifluoromethyl)piperidin-1-yl] N-sulfonylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)piperidin-1-yl] N-sulfonylcarbamate?
The IUPAC name of [4-(trifluoromethyl)piperidin-1-yl] N-sulfonylcarbamate (CID 175127797) is [4-(trifluoromethyl)piperidin-1-yl] N-sulfonylcarbamate.
What is the SMILES notation for [4-(trifluoromethyl)piperidin-1-yl] N-sulfonylcarbamate?
The canonical SMILES for [4-(trifluoromethyl)piperidin-1-yl] N-sulfonylcarbamate is O=C(N=S(=O)=O)ON1CCC(C(F)(F)F)CC1.
What is the InChIKey of [4-(trifluoromethyl)piperidin-1-yl] N-sulfonylcarbamate?
The InChIKey is NYAUMRHXQKPIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O4S/c8-7(9,10)5-1-3-12(4-2-5)16-6(13)11-17(14)15/h5H,1-4H2.
What are the key properties of [4-(trifluoromethyl)piperidin-1-yl] N-sulfonylcarbamate?
[4-(trifluoromethyl)piperidin-1-yl] N-sulfonylcarbamate has a molecular weight of 274.22 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)piperidin-1-yl] N-sulfonylcarbamate is sourced from PubChem (CID 175127797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).