cyclohexanamine;1,1,1-trifluoro-N-piperidin-3-ylmethanesulfonamide

C12H24F3N3O2S — CID 158178974

IUPACcyclohexanamine;1,1,1-trifluoro-N-piperidin-3-ylmethanesulfonamide
SMILESNC1CCCCC1.O=S(=O)(NC1CCCNC1)C(F)(F)F
InChIInChI=1S/C6H11F3N2O2S.C6H13N/c7-6(8,9)14(12,13)11-5-2-1-3-10-4-5;7-6-4-2-1-3-5-6/h5,10-11H,1-4H2;6H,1-5,7H2
InChIKeyFYIQHYPZEVIULP-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.46
Rot. Bonds2

About cyclohexanamine;1,1,1-trifluoro-N-piperidin-3-ylmethanesulfonamide

cyclohexanamine;1,1,1-trifluoro-N-piperidin-3-ylmethanesulfonamide (PubChem CID 158178974) has the molecular formula C12H24F3N3O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is cyclohexanamine;1,1,1-trifluoro-N-piperidin-3-ylmethanesulfonamide.

Molecular Properties

Compound Namecyclohexanamine;1,1,1-trifluoro-N-piperidin-3-ylmethanesulfonamide
PubChem CID158178974
Molecular FormulaC12H24F3N3O2S
Molecular Weight331.40 g/mol
Exact Mass331.15
IUPAC Namecyclohexanamine;1,1,1-trifluoro-N-piperidin-3-ylmethanesulfonamide
SMILESNC1CCCCC1.O=S(=O)(NC1CCCNC1)C(F)(F)F
InChIInChI=1S/C6H11F3N2O2S.C6H13N/c7-6(8,9)14(12,13)11-5-2-1-3-10-4-5;7-6-4-2-1-3-5-6/h5,10-11H,1-4H2;6H,1-5,7H2
InChIKeyFYIQHYPZEVIULP-UHFFFAOYSA-N
XLogP1.46
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclohexanamine;1,1,1-trifluoro-N-piperidin-3-ylmethanesulfonamide?
The IUPAC name of cyclohexanamine;1,1,1-trifluoro-N-piperidin-3-ylmethanesulfonamide (CID 158178974) is cyclohexanamine;1,1,1-trifluoro-N-piperidin-3-ylmethanesulfonamide.
What is the SMILES notation for cyclohexanamine;1,1,1-trifluoro-N-piperidin-3-ylmethanesulfonamide?
The canonical SMILES for cyclohexanamine;1,1,1-trifluoro-N-piperidin-3-ylmethanesulfonamide is NC1CCCCC1.O=S(=O)(NC1CCCNC1)C(F)(F)F.
What is the InChIKey of cyclohexanamine;1,1,1-trifluoro-N-piperidin-3-ylmethanesulfonamide?
The InChIKey is FYIQHYPZEVIULP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O2S.C6H13N/c7-6(8,9)14(12,13)11-5-2-1-3-10-4-5;7-6-4-2-1-3-5-6/h5,10-11H,1-4H2;6H,1-5,7H2.
What are the key properties of cyclohexanamine;1,1,1-trifluoro-N-piperidin-3-ylmethanesulfonamide?
cyclohexanamine;1,1,1-trifluoro-N-piperidin-3-ylmethanesulfonamide has a molecular weight of 331.40 g/mol, XLogP of 1.46, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanamine;1,1,1-trifluoro-N-piperidin-3-ylmethanesulfonamide is sourced from PubChem (CID 158178974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).