4-(2-aminoethyl)cyclohexane-1-sulfonyl fluoride

C8H16FNO2S — CID 134535046

IUPAC4-(2-aminoethyl)cyclohexane-1-sulfonyl fluoride
SMILESNCCC1CCC(S(=O)(=O)F)CC1
InChIInChI=1S/C8H16FNO2S/c9-13(11,12)8-3-1-7(2-4-8)5-6-10/h7-8H,1-6,10H2
InChIKeyFUYWZKGYPJGQBZ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.19
Rot. Bonds3

About 4-(2-aminoethyl)cyclohexane-1-sulfonyl fluoride

4-(2-aminoethyl)cyclohexane-1-sulfonyl fluoride (PubChem CID 134535046) has the molecular formula C8H16FNO2S and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-(2-aminoethyl)cyclohexane-1-sulfonyl fluoride.

Molecular Properties

Compound Name4-(2-aminoethyl)cyclohexane-1-sulfonyl fluoride
PubChem CID134535046
Molecular FormulaC8H16FNO2S
Molecular Weight209.29 g/mol
Exact Mass209.09
IUPAC Name4-(2-aminoethyl)cyclohexane-1-sulfonyl fluoride
SMILESNCCC1CCC(S(=O)(=O)F)CC1
InChIInChI=1S/C8H16FNO2S/c9-13(11,12)8-3-1-7(2-4-8)5-6-10/h7-8H,1-6,10H2
InChIKeyFUYWZKGYPJGQBZ-UHFFFAOYSA-N
XLogP1.19
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2-aminoethyl)cyclohexane-1-sulfonyl fluoride 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-(2-aminoethyl)cyclohexane-1-sulfonyl fluoride?
The IUPAC name of 4-(2-aminoethyl)cyclohexane-1-sulfonyl fluoride (CID 134535046) is 4-(2-aminoethyl)cyclohexane-1-sulfonyl fluoride.
What is the SMILES notation for 4-(2-aminoethyl)cyclohexane-1-sulfonyl fluoride?
The canonical SMILES for 4-(2-aminoethyl)cyclohexane-1-sulfonyl fluoride is NCCC1CCC(S(=O)(=O)F)CC1.
What is the InChIKey of 4-(2-aminoethyl)cyclohexane-1-sulfonyl fluoride?
The InChIKey is FUYWZKGYPJGQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2S/c9-13(11,12)8-3-1-7(2-4-8)5-6-10/h7-8H,1-6,10H2.
What are the key properties of 4-(2-aminoethyl)cyclohexane-1-sulfonyl fluoride?
4-(2-aminoethyl)cyclohexane-1-sulfonyl fluoride has a molecular weight of 209.29 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)cyclohexane-1-sulfonyl fluoride is sourced from PubChem (CID 134535046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).