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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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).