2-amino-N-(1-propan-2-ylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide

C12H24F3N3O2S — CID 66625054

IUPAC2-amino-N-(1-propan-2-ylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESCC(C)N1CCC(N(CC(F)(F)F)S(=O)(=O)CCN)CC1
InChIInChI=1S/C12H24F3N3O2S/c1-10(2)17-6-3-11(4-7-17)18(9-12(13,14)15)21(19,20)8-5-16/h10-11H,3-9,16H2,1-2H3
InChIKeySMGQLLQGLYJSMT-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.01
Rot. Bonds6

About 2-amino-N-(1-propan-2-ylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide

2-amino-N-(1-propan-2-ylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide (PubChem CID 66625054) has the molecular formula C12H24F3N3O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is 2-amino-N-(1-propan-2-ylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-(1-propan-2-ylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
PubChem CID66625054
Molecular FormulaC12H24F3N3O2S
Molecular Weight331.40 g/mol
Exact Mass331.15
IUPAC Name2-amino-N-(1-propan-2-ylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
SMILESCC(C)N1CCC(N(CC(F)(F)F)S(=O)(=O)CCN)CC1
InChIInChI=1S/C12H24F3N3O2S/c1-10(2)17-6-3-11(4-7-17)18(9-12(13,14)15)21(19,20)8-5-16/h10-11H,3-9,16H2,1-2H3
InChIKeySMGQLLQGLYJSMT-UHFFFAOYSA-N
XLogP1.01
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-propan-2-ylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The IUPAC name of 2-amino-N-(1-propan-2-ylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide (CID 66625054) is 2-amino-N-(1-propan-2-ylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide.
What is the SMILES notation for 2-amino-N-(1-propan-2-ylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The canonical SMILES for 2-amino-N-(1-propan-2-ylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide is CC(C)N1CCC(N(CC(F)(F)F)S(=O)(=O)CCN)CC1.
What is the InChIKey of 2-amino-N-(1-propan-2-ylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
The InChIKey is SMGQLLQGLYJSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F3N3O2S/c1-10(2)17-6-3-11(4-7-17)18(9-12(13,14)15)21(19,20)8-5-16/h10-11H,3-9,16H2,1-2H3.
What are the key properties of 2-amino-N-(1-propan-2-ylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide?
2-amino-N-(1-propan-2-ylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide has a molecular weight of 331.40 g/mol, XLogP of 1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-propan-2-ylpiperidin-4-yl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide is sourced from PubChem (CID 66625054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).