1-(methylamino)-N-[6-(trifluoromethyl)-3-pyridinyl]propane-2-sulfonamide

C10H14F3N3O2S — CID 106074537

IUPAC1-(methylamino)-N-[6-(trifluoromethyl)-3-pyridinyl]propane-2-sulfonamide
SMILESCNCC(C)S(=O)(=O)Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C10H14F3N3O2S/c1-7(5-14-2)19(17,18)16-8-3-4-9(15-6-8)10(11,12)13/h3-4,6-7,14,16H,5H2,1-2H3
InChIKeyKKVGIUIGEBXRIH-UHFFFAOYSA-N
MW297.30 g/mol
LogP1.45
Rot. Bonds5

About 1-(methylamino)-N-[6-(trifluoromethyl)-3-pyridinyl]propane-2-sulfonamide

1-(methylamino)-N-[6-(trifluoromethyl)-3-pyridinyl]propane-2-sulfonamide (PubChem CID 106074537) has the molecular formula C10H14F3N3O2S and a molecular weight of 297.30 g/mol. Its IUPAC name is 1-(methylamino)-N-[6-(trifluoromethyl)-3-pyridinyl]propane-2-sulfonamide.

Molecular Properties

Compound Name1-(methylamino)-N-[6-(trifluoromethyl)-3-pyridinyl]propane-2-sulfonamide
PubChem CID106074537
Molecular FormulaC10H14F3N3O2S
Molecular Weight297.30 g/mol
Exact Mass297.08
IUPAC Name1-(methylamino)-N-[6-(trifluoromethyl)-3-pyridinyl]propane-2-sulfonamide
SMILESCNCC(C)S(=O)(=O)Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C10H14F3N3O2S/c1-7(5-14-2)19(17,18)16-8-3-4-9(15-6-8)10(11,12)13/h3-4,6-7,14,16H,5H2,1-2H3
InChIKeyKKVGIUIGEBXRIH-UHFFFAOYSA-N
XLogP1.45
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Betahistine Mesilate
CID 198334
4-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 676049
Betahistine monomesilate
CID 6420033
4-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 3663787
N-3-Pyridylbenzenesulfonamide
CID 339079
N-(3-phenylamino-4-pyridinyl)methanesulfonamide
CID 44475843
N-(3-phenylamino-4-pyridinyl)trifluoromethanesulfonamide
CID 11472579
1,1,1-Trifluoro-N-[(pyridin-2-yl)methyl]methanesulfonamide
CID 20807188
N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 668955
5-Amino-2-(trifluoromethyl)pyridine
CID 2737744
2-Methyl-1-(3-sulphonatopropyl)pyridinium
CID 91841
2-(Trifluoromethyl)pyridin-3-amine
CID 10419487

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-N-[6-(trifluoromethyl)-3-pyridinyl]propane-2-sulfonamide?
The IUPAC name of 1-(methylamino)-N-[6-(trifluoromethyl)-3-pyridinyl]propane-2-sulfonamide (CID 106074537) is 1-(methylamino)-N-[6-(trifluoromethyl)-3-pyridinyl]propane-2-sulfonamide.
What is the SMILES notation for 1-(methylamino)-N-[6-(trifluoromethyl)-3-pyridinyl]propane-2-sulfonamide?
The canonical SMILES for 1-(methylamino)-N-[6-(trifluoromethyl)-3-pyridinyl]propane-2-sulfonamide is CNCC(C)S(=O)(=O)Nc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 1-(methylamino)-N-[6-(trifluoromethyl)-3-pyridinyl]propane-2-sulfonamide?
The InChIKey is KKVGIUIGEBXRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2S/c1-7(5-14-2)19(17,18)16-8-3-4-9(15-6-8)10(11,12)13/h3-4,6-7,14,16H,5H2,1-2H3.
What are the key properties of 1-(methylamino)-N-[6-(trifluoromethyl)-3-pyridinyl]propane-2-sulfonamide?
1-(methylamino)-N-[6-(trifluoromethyl)-3-pyridinyl]propane-2-sulfonamide has a molecular weight of 297.30 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-N-[6-(trifluoromethyl)-3-pyridinyl]propane-2-sulfonamide is sourced from PubChem (CID 106074537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).