4-fluoro-4-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-amine

C13H25FN2O2S — CID 112562286

IUPAC4-fluoro-4-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-amine
SMILESCS(=O)(=O)N1CCCC(CC2(F)CCC(N)CC2)C1
InChIInChI=1S/C13H25FN2O2S/c1-19(17,18)16-8-2-3-11(10-16)9-13(14)6-4-12(15)5-7-13/h11-12H,2-10,15H2,1H3
InChIKeyXPURFPWNPZAFME-UHFFFAOYSA-N
MW292.42 g/mol
LogP1.66
Rot. Bonds3

About 4-fluoro-4-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-amine

4-fluoro-4-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-amine (PubChem CID 112562286) has the molecular formula C13H25FN2O2S and a molecular weight of 292.42 g/mol. Its IUPAC name is 4-fluoro-4-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-fluoro-4-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-amine
PubChem CID112562286
Molecular FormulaC13H25FN2O2S
Molecular Weight292.42 g/mol
Exact Mass292.16
IUPAC Name4-fluoro-4-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-amine
SMILESCS(=O)(=O)N1CCCC(CC2(F)CCC(N)CC2)C1
InChIInChI=1S/C13H25FN2O2S/c1-19(17,18)16-8-2-3-11(10-16)9-13(14)6-4-12(15)5-7-13/h11-12H,2-10,15H2,1H3
InChIKeyXPURFPWNPZAFME-UHFFFAOYSA-N
XLogP1.66
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[1-(4-methylcyclohexyl)piperidin-4-yl]propane-1-sulfonamide
CID 75377027
N-(1-azaspiro[5.5]undecan-4-yl)-1,1-difluoromethanesulfonamide
CID 43598118
1-[1-(Difluoromethylsulfonyl)piperidin-3-yl]ethanamine
CID 63855233
1-methylsulfonyl-N-[4-(trifluoromethyl)cyclohexyl]piperidin-4-amine
CID 64753829
N-ethyl-N-[3-[[4-(trifluoromethyl)cyclohexyl]amino]propyl]methanesulfonamide
CID 64754674
1-methylsulfonyl-N-[3-(trifluoromethyl)cyclohexyl]piperidin-4-amine
CID 64757172
1-methylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]piperidin-4-amine
CID 64758889
4,4,4-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)-N-propylbutan-2-amine
CID 79611010
4,4,4-trifluoro-N-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 79611581
4,4,4-Trifluoro-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 79611843
N-ethyl-4,4,4-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 79611844
N-ethyl-5,5,5-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)pentan-2-amine
CID 79952841

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-fluoro-4-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-amine (CID 112562286) is 4-fluoro-4-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-fluoro-4-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-fluoro-4-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-amine is CS(=O)(=O)N1CCCC(CC2(F)CCC(N)CC2)C1.
What is the InChIKey of 4-fluoro-4-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-amine?
The InChIKey is XPURFPWNPZAFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FN2O2S/c1-19(17,18)16-8-2-3-11(10-16)9-13(14)6-4-12(15)5-7-13/h11-12H,2-10,15H2,1H3.
What are the key properties of 4-fluoro-4-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-amine?
4-fluoro-4-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-amine has a molecular weight of 292.42 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-[(1-methylsulfonylpiperidin-3-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 112562286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).