N-[(2R)-2-(ethylamino)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide

C12H18F3N3O3S — CID 120664886

IUPACN-[(2R)-2-(ethylamino)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide
SMILESCCN[C@H](C)CNS(=O)(=O)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C12H18F3N3O3S/c1-3-16-9(2)6-18-22(19,20)10-4-5-11(17-7-10)21-8-12(13,14)15/h4-5,7,9,16,18H,3,6,8H2,1-2H3/t9-/m1/s1
InChIKeyNWSYARCNCRWFQO-SECBINFHSA-N
MW341.36 g/mol
LogP1.30
Rot. Bonds8

About N-[(2R)-2-(ethylamino)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide

N-[(2R)-2-(ethylamino)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide (PubChem CID 120664886) has the molecular formula C12H18F3N3O3S and a molecular weight of 341.36 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide
PubChem CID120664886
Molecular FormulaC12H18F3N3O3S
Molecular Weight341.36 g/mol
Exact Mass341.10
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide
SMILESCCN[C@H](C)CNS(=O)(=O)c1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C12H18F3N3O3S/c1-3-16-9(2)6-18-22(19,20)10-4-5-11(17-7-10)21-8-12(13,14)15/h4-5,7,9,16,18H,3,6,8H2,1-2H3/t9-/m1/s1
InChIKeyNWSYARCNCRWFQO-SECBINFHSA-N
XLogP1.30
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide (CID 120664886) is N-[(2R)-2-(ethylamino)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide is CCN[C@H](C)CNS(=O)(=O)c1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide?
The InChIKey is NWSYARCNCRWFQO-SECBINFHSA-N. The full InChI is InChI=1S/C12H18F3N3O3S/c1-3-16-9(2)6-18-22(19,20)10-4-5-11(17-7-10)21-8-12(13,14)15/h4-5,7,9,16,18H,3,6,8H2,1-2H3/t9-/m1/s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide?
N-[(2R)-2-(ethylamino)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide has a molecular weight of 341.36 g/mol, XLogP of 1.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-sulfonamide is sourced from PubChem (CID 120664886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).