1-cyclohexyl-N-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-amine

C18H26F2N2O2S — CID 133296240

IUPAC1-cyclohexyl-N-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-amine
SMILESO=S(=O)(c1ccc(NC2CCCN(C3CCCCC3)C2)cc1)C(F)F
InChIInChI=1S/C18H26F2N2O2S/c19-18(20)25(23,24)17-10-8-14(9-11-17)21-15-5-4-12-22(13-15)16-6-2-1-3-7-16/h8-11,15-16,18,21H,1-7,12-13H2
InChIKeyVOTFMBHGLNWURK-UHFFFAOYSA-N
MW372.48 g/mol
LogP3.89
Rot. Bonds5

About 1-cyclohexyl-N-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-amine

1-cyclohexyl-N-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-amine (PubChem CID 133296240) has the molecular formula C18H26F2N2O2S and a molecular weight of 372.48 g/mol. Its IUPAC name is 1-cyclohexyl-N-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-amine
PubChem CID133296240
Molecular FormulaC18H26F2N2O2S
Molecular Weight372.48 g/mol
Exact Mass372.17
IUPAC Name1-cyclohexyl-N-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-amine
SMILESO=S(=O)(c1ccc(NC2CCCN(C3CCCCC3)C2)cc1)C(F)F
InChIInChI=1S/C18H26F2N2O2S/c19-18(20)25(23,24)17-10-8-14(9-11-17)21-15-5-4-12-22(13-15)16-6-2-1-3-7-16/h8-11,15-16,18,21H,1-7,12-13H2
InChIKeyVOTFMBHGLNWURK-UHFFFAOYSA-N
XLogP3.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-[4-(difluoromethylsulfonyl)phenyl]piperidin-4-amine
CID 47046027
4-(difluoromethylsulfonyl)-N-(4-methylcyclohexyl)aniline
CID 43455320
N-(4-chlorocyclohexyl)-4-(difluoromethylsulfonyl)aniline
CID 65027258
N-[4-(difluoromethylsulfonyl)phenyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43455310
4-(cyclohexylamino)benzenesulfonic acid
CID 141225645
N-(4-propan-2-ylphenyl)-1-(thian-4-yl)piperidin-3-amine
CID 56718877
1-[4-[4-(difluoromethylsulfonyl)anilino]piperidin-1-yl]-3-methylbutan-1-one
CID 133305587
(3R)-1-(1,4-dithiepan-6-yl)-N-(4-fluorophenyl)piperidin-3-amine
CID 26315908
N-(1-cyclohexylpiperidin-3-yl)methanesulfonamide
CID 86865548
N-[4-(difluoromethylsulfonyl)phenyl]-2,2-dimethyl-1,3-dioxan-5-amine
CID 104577336
N-[2-(cycloheptylamino)ethyl]-2-[4-(difluoromethylsulfonyl)phenyl]acetamide;hydrochloride
CID 119620018
(3R)-1-(2,3-dihydro-1H-inden-2-yl)-N-phenylpiperidin-3-amine
CID 26397977

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-amine?
The IUPAC name of 1-cyclohexyl-N-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-amine (CID 133296240) is 1-cyclohexyl-N-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-amine.
What is the SMILES notation for 1-cyclohexyl-N-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-amine?
The canonical SMILES for 1-cyclohexyl-N-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-amine is O=S(=O)(c1ccc(NC2CCCN(C3CCCCC3)C2)cc1)C(F)F.
What is the InChIKey of 1-cyclohexyl-N-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-amine?
The InChIKey is VOTFMBHGLNWURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N2O2S/c19-18(20)25(23,24)17-10-8-14(9-11-17)21-15-5-4-12-22(13-15)16-6-2-1-3-7-16/h8-11,15-16,18,21H,1-7,12-13H2.
What are the key properties of 1-cyclohexyl-N-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-amine?
1-cyclohexyl-N-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-amine has a molecular weight of 372.48 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[4-(difluoromethylsulfonyl)phenyl]piperidin-3-amine is sourced from PubChem (CID 133296240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).