(2R)-N-methyl-1-[[6-(trifluoromethyl)pyrazin-2-yl]amino]propane-2-sulfonamide

C9H13F3N4O2S — CID 166376081

IUPAC(2R)-N-methyl-1-[[6-(trifluoromethyl)pyrazin-2-yl]amino]propane-2-sulfonamide
SMILESCNS(=O)(=O)[C@H](C)CNc1cncc(C(F)(F)F)n1
InChIInChI=1S/C9H13F3N4O2S/c1-6(19(17,18)13-2)3-15-8-5-14-4-7(16-8)9(10,11)12/h4-6,13H,3H2,1-2H3,(H,15,16)/t6-/m1/s1
InChIKeyRWGBUSIOASNWIF-ZCFIWIBFSA-N
MW298.29 g/mol
LogP0.85
Rot. Bonds5

About (2R)-N-methyl-1-[[6-(trifluoromethyl)pyrazin-2-yl]amino]propane-2-sulfonamide

(2R)-N-methyl-1-[[6-(trifluoromethyl)pyrazin-2-yl]amino]propane-2-sulfonamide (PubChem CID 166376081) has the molecular formula C9H13F3N4O2S and a molecular weight of 298.29 g/mol. Its IUPAC name is (2R)-N-methyl-1-[[6-(trifluoromethyl)pyrazin-2-yl]amino]propane-2-sulfonamide.

Molecular Properties

Compound Name(2R)-N-methyl-1-[[6-(trifluoromethyl)pyrazin-2-yl]amino]propane-2-sulfonamide
PubChem CID166376081
Molecular FormulaC9H13F3N4O2S
Molecular Weight298.29 g/mol
Exact Mass298.07
IUPAC Name(2R)-N-methyl-1-[[6-(trifluoromethyl)pyrazin-2-yl]amino]propane-2-sulfonamide
SMILESCNS(=O)(=O)[C@H](C)CNc1cncc(C(F)(F)F)n1
InChIInChI=1S/C9H13F3N4O2S/c1-6(19(17,18)13-2)3-15-8-5-14-4-7(16-8)9(10,11)12/h4-6,13H,3H2,1-2H3,(H,15,16)/t6-/m1/s1
InChIKeyRWGBUSIOASNWIF-ZCFIWIBFSA-N
XLogP0.85
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-1-[[6-(trifluoromethyl)pyrazin-2-yl]amino]propane-2-sulfonamide?
The IUPAC name of (2R)-N-methyl-1-[[6-(trifluoromethyl)pyrazin-2-yl]amino]propane-2-sulfonamide (CID 166376081) is (2R)-N-methyl-1-[[6-(trifluoromethyl)pyrazin-2-yl]amino]propane-2-sulfonamide.
What is the SMILES notation for (2R)-N-methyl-1-[[6-(trifluoromethyl)pyrazin-2-yl]amino]propane-2-sulfonamide?
The canonical SMILES for (2R)-N-methyl-1-[[6-(trifluoromethyl)pyrazin-2-yl]amino]propane-2-sulfonamide is CNS(=O)(=O)[C@H](C)CNc1cncc(C(F)(F)F)n1.
What is the InChIKey of (2R)-N-methyl-1-[[6-(trifluoromethyl)pyrazin-2-yl]amino]propane-2-sulfonamide?
The InChIKey is RWGBUSIOASNWIF-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H13F3N4O2S/c1-6(19(17,18)13-2)3-15-8-5-14-4-7(16-8)9(10,11)12/h4-6,13H,3H2,1-2H3,(H,15,16)/t6-/m1/s1.
What are the key properties of (2R)-N-methyl-1-[[6-(trifluoromethyl)pyrazin-2-yl]amino]propane-2-sulfonamide?
(2R)-N-methyl-1-[[6-(trifluoromethyl)pyrazin-2-yl]amino]propane-2-sulfonamide has a molecular weight of 298.29 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-1-[[6-(trifluoromethyl)pyrazin-2-yl]amino]propane-2-sulfonamide is sourced from PubChem (CID 166376081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).