4-aminocyclohexane-1-sulfonyl fluoride

C6H12FNO2S — CID 167733164

IUPAC4-aminocyclohexane-1-sulfonyl fluoride
SMILESNC1CCC(S(=O)(=O)F)CC1
InChIInChI=1S/C6H12FNO2S/c7-11(9,10)6-3-1-5(8)2-4-6/h5-6H,1-4,8H2
InChIKeyAOZMWSOSIXVUEA-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.56
Rot. Bonds1

About 4-aminocyclohexane-1-sulfonyl fluoride

4-aminocyclohexane-1-sulfonyl fluoride (PubChem CID 167733164) has the molecular formula C6H12FNO2S and a molecular weight of 181.23 g/mol. Its IUPAC name is 4-aminocyclohexane-1-sulfonyl fluoride.

Molecular Properties

Compound Name4-aminocyclohexane-1-sulfonyl fluoride
PubChem CID167733164
Molecular FormulaC6H12FNO2S
Molecular Weight181.23 g/mol
Exact Mass181.06
IUPAC Name4-aminocyclohexane-1-sulfonyl fluoride
SMILESNC1CCC(S(=O)(=O)F)CC1
InChIInChI=1S/C6H12FNO2S/c7-11(9,10)6-3-1-5(8)2-4-6/h5-6H,1-4,8H2
InChIKeyAOZMWSOSIXVUEA-UHFFFAOYSA-N
XLogP0.56
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Aminocyclohexanesulfonic acid
CID 152154
Trans-2-aminocyclohexanesulfonic acid
CID 15881493
cis-2-Aminocyclohexanesulfonic acid
CID 54105826
4-Aminocyclohexane-1-sulfonamide hydrochloride
CID 132354263
(S,s)-2-aminocyclohexylsulfonic acid
CID 12970178
2-Azaniumylcyclohexane-1-sulfonate
CID 134992994
N-cyclohexyl-3-fluoropropane-1-sulfonamide
CID 129397177
4-Methanesulfonylcyclohexan-1-amine
CID 24689381
4-Aminocyclohexane-1-sulfonamide
CID 89389897
5-Amino-2-fluorocyclohexane-1-sulfonic acid
CID 91006839
3-(Methanesulfonamido)cyclohexane-1-sulfonyl fluoride
CID 140470930
4-(Fluoromethylsulfonyl)cyclohexan-1-amine
CID 84720543

Frequently Asked Questions

What is the IUPAC name of 4-aminocyclohexane-1-sulfonyl fluoride?
The IUPAC name of 4-aminocyclohexane-1-sulfonyl fluoride (CID 167733164) is 4-aminocyclohexane-1-sulfonyl fluoride.
What is the SMILES notation for 4-aminocyclohexane-1-sulfonyl fluoride?
The canonical SMILES for 4-aminocyclohexane-1-sulfonyl fluoride is NC1CCC(S(=O)(=O)F)CC1.
What is the InChIKey of 4-aminocyclohexane-1-sulfonyl fluoride?
The InChIKey is AOZMWSOSIXVUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO2S/c7-11(9,10)6-3-1-5(8)2-4-6/h5-6H,1-4,8H2.
What are the key properties of 4-aminocyclohexane-1-sulfonyl fluoride?
4-aminocyclohexane-1-sulfonyl fluoride has a molecular weight of 181.23 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminocyclohexane-1-sulfonyl fluoride is sourced from PubChem (CID 167733164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).