2-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine

C10H19F3N2O2S — CID 83059283

IUPAC2-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine
SMILESCC1CC(N)CCN1S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2S/c1-8-7-9(14)3-5-15(8)18(16,17)6-2-4-10(11,12)13/h8-9H,2-7,14H2,1H3
InChIKeyAKGNQSWOLLSQNB-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.47
Rot. Bonds4

About 2-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine

2-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine (PubChem CID 83059283) has the molecular formula C10H19F3N2O2S and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine.

Molecular Properties

Compound Name2-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine
PubChem CID83059283
Molecular FormulaC10H19F3N2O2S
Molecular Weight288.34 g/mol
Exact Mass288.11
IUPAC Name2-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine
SMILESCC1CC(N)CCN1S(=O)(=O)CCCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2S/c1-8-7-9(14)3-5-15(8)18(16,17)6-2-4-10(11,12)13/h8-9H,2-7,14H2,1H3
InChIKeyAKGNQSWOLLSQNB-UHFFFAOYSA-N
XLogP1.47
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine?
The IUPAC name of 2-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine (CID 83059283) is 2-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine.
What is the SMILES notation for 2-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine?
The canonical SMILES for 2-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine is CC1CC(N)CCN1S(=O)(=O)CCCC(F)(F)F.
What is the InChIKey of 2-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine?
The InChIKey is AKGNQSWOLLSQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2S/c1-8-7-9(14)3-5-15(8)18(16,17)6-2-4-10(11,12)13/h8-9H,2-7,14H2,1H3.
What are the key properties of 2-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine?
2-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine has a molecular weight of 288.34 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4,4,4-trifluorobutylsulfonyl)piperidin-4-amine is sourced from PubChem (CID 83059283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).