6-(2-fluorophenyl)sulfonyl-2,2-dimethylcyclohexan-1-amine

C14H20FNO2S — CID 79847568

IUPAC6-(2-fluorophenyl)sulfonyl-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCC(S(=O)(=O)c2ccccc2F)C1N
InChIInChI=1S/C14H20FNO2S/c1-14(2)9-5-8-12(13(14)16)19(17,18)11-7-4-3-6-10(11)15/h3-4,6-7,12-13H,5,8-9,16H2,1-2H3
InChIKeyWYJBYCOABMVZDR-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.51
Rot. Bonds2

About 6-(2-fluorophenyl)sulfonyl-2,2-dimethylcyclohexan-1-amine

6-(2-fluorophenyl)sulfonyl-2,2-dimethylcyclohexan-1-amine (PubChem CID 79847568) has the molecular formula C14H20FNO2S and a molecular weight of 285.38 g/mol. Its IUPAC name is 6-(2-fluorophenyl)sulfonyl-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name6-(2-fluorophenyl)sulfonyl-2,2-dimethylcyclohexan-1-amine
PubChem CID79847568
Molecular FormulaC14H20FNO2S
Molecular Weight285.38 g/mol
Exact Mass285.12
IUPAC Name6-(2-fluorophenyl)sulfonyl-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCC(S(=O)(=O)c2ccccc2F)C1N
InChIInChI=1S/C14H20FNO2S/c1-14(2)9-5-8-12(13(14)16)19(17,18)11-7-4-3-6-10(11)15/h3-4,6-7,12-13H,5,8-9,16H2,1-2H3
InChIKeyWYJBYCOABMVZDR-UHFFFAOYSA-N
XLogP2.51
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)sulfonyl-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of 6-(2-fluorophenyl)sulfonyl-2,2-dimethylcyclohexan-1-amine (CID 79847568) is 6-(2-fluorophenyl)sulfonyl-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for 6-(2-fluorophenyl)sulfonyl-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for 6-(2-fluorophenyl)sulfonyl-2,2-dimethylcyclohexan-1-amine is CC1(C)CCCC(S(=O)(=O)c2ccccc2F)C1N.
What is the InChIKey of 6-(2-fluorophenyl)sulfonyl-2,2-dimethylcyclohexan-1-amine?
The InChIKey is WYJBYCOABMVZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2S/c1-14(2)9-5-8-12(13(14)16)19(17,18)11-7-4-3-6-10(11)15/h3-4,6-7,12-13H,5,8-9,16H2,1-2H3.
What are the key properties of 6-(2-fluorophenyl)sulfonyl-2,2-dimethylcyclohexan-1-amine?
6-(2-fluorophenyl)sulfonyl-2,2-dimethylcyclohexan-1-amine has a molecular weight of 285.38 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)sulfonyl-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79847568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).