N-[(3-ethylpiperidin-2-yl)methylsulfamoyl]-2,2,2-trifluoroethanamine

C10H20F3N3O2S — CID 114807591

IUPACN-[(3-ethylpiperidin-2-yl)methylsulfamoyl]-2,2,2-trifluoroethanamine
SMILESCCC1CCCNC1CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C10H20F3N3O2S/c1-2-8-4-3-5-14-9(8)6-15-19(17,18)16-7-10(11,12)13/h8-9,14-16H,2-7H2,1H3
InChIKeyKAUZKOKUKORWFI-UHFFFAOYSA-N
MW303.35 g/mol
LogP0.75
Rot. Bonds6

About N-[(3-ethylpiperidin-2-yl)methylsulfamoyl]-2,2,2-trifluoroethanamine

N-[(3-ethylpiperidin-2-yl)methylsulfamoyl]-2,2,2-trifluoroethanamine (PubChem CID 114807591) has the molecular formula C10H20F3N3O2S and a molecular weight of 303.35 g/mol. Its IUPAC name is N-[(3-ethylpiperidin-2-yl)methylsulfamoyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[(3-ethylpiperidin-2-yl)methylsulfamoyl]-2,2,2-trifluoroethanamine
PubChem CID114807591
Molecular FormulaC10H20F3N3O2S
Molecular Weight303.35 g/mol
Exact Mass303.12
IUPAC NameN-[(3-ethylpiperidin-2-yl)methylsulfamoyl]-2,2,2-trifluoroethanamine
SMILESCCC1CCCNC1CNS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C10H20F3N3O2S/c1-2-8-4-3-5-14-9(8)6-15-19(17,18)16-7-10(11,12)13/h8-9,14-16H,2-7H2,1H3
InChIKeyKAUZKOKUKORWFI-UHFFFAOYSA-N
XLogP0.75
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethylpiperidin-2-yl)methylsulfamoyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[(3-ethylpiperidin-2-yl)methylsulfamoyl]-2,2,2-trifluoroethanamine (CID 114807591) is N-[(3-ethylpiperidin-2-yl)methylsulfamoyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[(3-ethylpiperidin-2-yl)methylsulfamoyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[(3-ethylpiperidin-2-yl)methylsulfamoyl]-2,2,2-trifluoroethanamine is CCC1CCCNC1CNS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of N-[(3-ethylpiperidin-2-yl)methylsulfamoyl]-2,2,2-trifluoroethanamine?
The InChIKey is KAUZKOKUKORWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N3O2S/c1-2-8-4-3-5-14-9(8)6-15-19(17,18)16-7-10(11,12)13/h8-9,14-16H,2-7H2,1H3.
What are the key properties of N-[(3-ethylpiperidin-2-yl)methylsulfamoyl]-2,2,2-trifluoroethanamine?
N-[(3-ethylpiperidin-2-yl)methylsulfamoyl]-2,2,2-trifluoroethanamine has a molecular weight of 303.35 g/mol, XLogP of 0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethylpiperidin-2-yl)methylsulfamoyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 114807591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).