4,4,4-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine

C10H19F3N2O2S — CID 79611843

IUPAC4,4,4-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
SMILESCS(=O)(=O)N1CCCC(CC(N)CC(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O2S/c1-18(16,17)15-4-2-3-8(7-15)5-9(14)6-10(11,12)13/h8-9H,2-7,14H2,1H3
InChIKeyFCMVBBQTNBNUEX-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.33
Rot. Bonds4

About 4,4,4-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine

4,4,4-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine (PubChem CID 79611843) has the molecular formula C10H19F3N2O2S and a molecular weight of 288.34 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
PubChem CID79611843
Molecular FormulaC10H19F3N2O2S
Molecular Weight288.34 g/mol
Exact Mass288.11
IUPAC Name4,4,4-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
SMILESCS(=O)(=O)N1CCCC(CC(N)CC(F)(F)F)C1
InChIInChI=1S/C10H19F3N2O2S/c1-18(16,17)15-4-2-3-8(7-15)5-9(14)6-10(11,12)13/h8-9H,2-7,14H2,1H3
InChIKeyFCMVBBQTNBNUEX-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine?
The IUPAC name of 4,4,4-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine (CID 79611843) is 4,4,4-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine?
The canonical SMILES for 4,4,4-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine is CS(=O)(=O)N1CCCC(CC(N)CC(F)(F)F)C1.
What is the InChIKey of 4,4,4-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine?
The InChIKey is FCMVBBQTNBNUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2S/c1-18(16,17)15-4-2-3-8(7-15)5-9(14)6-10(11,12)13/h8-9H,2-7,14H2,1H3.
What are the key properties of 4,4,4-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine?
4,4,4-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine has a molecular weight of 288.34 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine is sourced from PubChem (CID 79611843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).