3-(dimethylamino)cyclohexane-1-sulfonyl fluoride

C8H16FNO2S — CID 165486187

IUPAC3-(dimethylamino)cyclohexane-1-sulfonyl fluoride
SMILESCN(C)C1CCCC(S(=O)(=O)F)C1
InChIInChI=1S/C8H16FNO2S/c1-10(2)7-4-3-5-8(6-7)13(9,11)12/h7-8H,3-6H2,1-2H3
InChIKeyMAFCTMFAGWYGJH-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.16
Rot. Bonds2

About 3-(dimethylamino)cyclohexane-1-sulfonyl fluoride

3-(dimethylamino)cyclohexane-1-sulfonyl fluoride (PubChem CID 165486187) has the molecular formula C8H16FNO2S and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-(dimethylamino)cyclohexane-1-sulfonyl fluoride.

Molecular Properties

Compound Name3-(dimethylamino)cyclohexane-1-sulfonyl fluoride
PubChem CID165486187
Molecular FormulaC8H16FNO2S
Molecular Weight209.29 g/mol
Exact Mass209.09
IUPAC Name3-(dimethylamino)cyclohexane-1-sulfonyl fluoride
SMILESCN(C)C1CCCC(S(=O)(=O)F)C1
InChIInChI=1S/C8H16FNO2S/c1-10(2)7-4-3-5-8(6-7)13(9,11)12/h7-8H,3-6H2,1-2H3
InChIKeyMAFCTMFAGWYGJH-UHFFFAOYSA-N
XLogP1.16
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)cyclohexane-1-sulfonyl fluoride?
The IUPAC name of 3-(dimethylamino)cyclohexane-1-sulfonyl fluoride (CID 165486187) is 3-(dimethylamino)cyclohexane-1-sulfonyl fluoride.
What is the SMILES notation for 3-(dimethylamino)cyclohexane-1-sulfonyl fluoride?
The canonical SMILES for 3-(dimethylamino)cyclohexane-1-sulfonyl fluoride is CN(C)C1CCCC(S(=O)(=O)F)C1.
What is the InChIKey of 3-(dimethylamino)cyclohexane-1-sulfonyl fluoride?
The InChIKey is MAFCTMFAGWYGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO2S/c1-10(2)7-4-3-5-8(6-7)13(9,11)12/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-(dimethylamino)cyclohexane-1-sulfonyl fluoride?
3-(dimethylamino)cyclohexane-1-sulfonyl fluoride has a molecular weight of 209.29 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)cyclohexane-1-sulfonyl fluoride is sourced from PubChem (CID 165486187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).