2,2,2-trifluoro-N-[(3-methylpiperidin-2-yl)methylsulfamoyl]ethanamine

C9H18F3N3O2S — CID 114807534

IUPAC2,2,2-trifluoro-N-[(3-methylpiperidin-2-yl)methylsulfamoyl]ethanamine
SMILESCC1CCCNC1CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C9H18F3N3O2S/c1-7-3-2-4-13-8(7)5-14-18(16,17)15-6-9(10,11)12/h7-8,13-15H,2-6H2,1H3
InChIKeySIZVAYOJIMQQTD-UHFFFAOYSA-N
MW289.32 g/mol
LogP0.36
Rot. Bonds5

About 2,2,2-trifluoro-N-[(3-methylpiperidin-2-yl)methylsulfamoyl]ethanamine

2,2,2-trifluoro-N-[(3-methylpiperidin-2-yl)methylsulfamoyl]ethanamine (PubChem CID 114807534) has the molecular formula C9H18F3N3O2S and a molecular weight of 289.32 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(3-methylpiperidin-2-yl)methylsulfamoyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(3-methylpiperidin-2-yl)methylsulfamoyl]ethanamine
PubChem CID114807534
Molecular FormulaC9H18F3N3O2S
Molecular Weight289.32 g/mol
Exact Mass289.11
IUPAC Name2,2,2-trifluoro-N-[(3-methylpiperidin-2-yl)methylsulfamoyl]ethanamine
SMILESCC1CCCNC1CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C9H18F3N3O2S/c1-7-3-2-4-13-8(7)5-14-18(16,17)15-6-9(10,11)12/h7-8,13-15H,2-6H2,1H3
InChIKeySIZVAYOJIMQQTD-UHFFFAOYSA-N
XLogP0.36
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(3-methylpiperidin-2-yl)methylsulfamoyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[(3-methylpiperidin-2-yl)methylsulfamoyl]ethanamine (CID 114807534) is 2,2,2-trifluoro-N-[(3-methylpiperidin-2-yl)methylsulfamoyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[(3-methylpiperidin-2-yl)methylsulfamoyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[(3-methylpiperidin-2-yl)methylsulfamoyl]ethanamine is CC1CCCNC1CNS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(3-methylpiperidin-2-yl)methylsulfamoyl]ethanamine?
The InChIKey is SIZVAYOJIMQQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N3O2S/c1-7-3-2-4-13-8(7)5-14-18(16,17)15-6-9(10,11)12/h7-8,13-15H,2-6H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[(3-methylpiperidin-2-yl)methylsulfamoyl]ethanamine?
2,2,2-trifluoro-N-[(3-methylpiperidin-2-yl)methylsulfamoyl]ethanamine has a molecular weight of 289.32 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(3-methylpiperidin-2-yl)methylsulfamoyl]ethanamine is sourced from PubChem (CID 114807534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).