2-amino-2-cyclohexylethanesulfonyl fluoride

C8H16FNO2S — CID 165446562

IUPAC2-amino-2-cyclohexylethanesulfonyl fluoride
SMILESNC(CS(=O)(=O)F)C1CCCCC1
InChIInChI=1S/C8H16FNO2S/c9-13(11,12)6-8(10)7-4-2-1-3-5-7/h7-8H,1-6,10H2
InChIKeyJDBCXTAIPRNADN-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.19
Rot. Bonds3

About 2-amino-2-cyclohexylethanesulfonyl fluoride

2-amino-2-cyclohexylethanesulfonyl fluoride (PubChem CID 165446562) has the molecular formula C8H16FNO2S and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-amino-2-cyclohexylethanesulfonyl fluoride.

Molecular Properties

Compound Name2-amino-2-cyclohexylethanesulfonyl fluoride
PubChem CID165446562
Molecular FormulaC8H16FNO2S
Molecular Weight209.29 g/mol
Exact Mass209.09
IUPAC Name2-amino-2-cyclohexylethanesulfonyl fluoride
SMILESNC(CS(=O)(=O)F)C1CCCCC1
InChIInChI=1S/C8H16FNO2S/c9-13(11,12)6-8(10)7-4-2-1-3-5-7/h7-8H,1-6,10H2
InChIKeyJDBCXTAIPRNADN-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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclohexylethanesulfonyl fluoride?
The IUPAC name of 2-amino-2-cyclohexylethanesulfonyl fluoride (CID 165446562) is 2-amino-2-cyclohexylethanesulfonyl fluoride.
What is the SMILES notation for 2-amino-2-cyclohexylethanesulfonyl fluoride?
The canonical SMILES for 2-amino-2-cyclohexylethanesulfonyl fluoride is NC(CS(=O)(=O)F)C1CCCCC1.
What is the InChIKey of 2-amino-2-cyclohexylethanesulfonyl fluoride?
The InChIKey is JDBCXTAIPRNADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2S/c9-13(11,12)6-8(10)7-4-2-1-3-5-7/h7-8H,1-6,10H2.
What are the key properties of 2-amino-2-cyclohexylethanesulfonyl fluoride?
2-amino-2-cyclohexylethanesulfonyl 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 2-amino-2-cyclohexylethanesulfonyl fluoride is sourced from PubChem (CID 165446562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).