3-[(2S)-4-(1,3-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]pyrazin-2-amine

C13H18N6O3S — CID 125013873

IUPAC3-[(2S)-4-(1,3-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]pyrazin-2-amine
SMILESCc1nn(C)cc1S(=O)(=O)N1CCO[C@H](c2nccnc2N)C1
InChIInChI=1S/C13H18N6O3S/c1-9-11(8-18(2)17-9)23(20,21)19-5-6-22-10(7-19)12-13(14)16-4-3-15-12/h3-4,8,10H,5-7H2,1-2H3,(H2,14,16)/t10-/m0/s1
InChIKeyWIHAUFYSZYOKBO-JTQLQIEISA-N
MW338.39 g/mol
LogP-0.14
Rot. Bonds3

About 3-[(2S)-4-(1,3-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]pyrazin-2-amine

3-[(2S)-4-(1,3-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]pyrazin-2-amine (PubChem CID 125013873) has the molecular formula C13H18N6O3S and a molecular weight of 338.39 g/mol. Its IUPAC name is 3-[(2S)-4-(1,3-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]pyrazin-2-amine.

Molecular Properties

Compound Name3-[(2S)-4-(1,3-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]pyrazin-2-amine
PubChem CID125013873
Molecular FormulaC13H18N6O3S
Molecular Weight338.39 g/mol
Exact Mass338.12
IUPAC Name3-[(2S)-4-(1,3-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]pyrazin-2-amine
SMILESCc1nn(C)cc1S(=O)(=O)N1CCO[C@H](c2nccnc2N)C1
InChIInChI=1S/C13H18N6O3S/c1-9-11(8-18(2)17-9)23(20,21)19-5-6-22-10(7-19)12-13(14)16-4-3-15-12/h3-4,8,10H,5-7H2,1-2H3,(H2,14,16)/t10-/m0/s1
InChIKeyWIHAUFYSZYOKBO-JTQLQIEISA-N
XLogP-0.14
TPSA116.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-4-(1,3-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]pyrazin-2-amine?
The IUPAC name of 3-[(2S)-4-(1,3-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]pyrazin-2-amine (CID 125013873) is 3-[(2S)-4-(1,3-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]pyrazin-2-amine.
What is the SMILES notation for 3-[(2S)-4-(1,3-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]pyrazin-2-amine?
The canonical SMILES for 3-[(2S)-4-(1,3-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]pyrazin-2-amine is Cc1nn(C)cc1S(=O)(=O)N1CCO[C@H](c2nccnc2N)C1.
What is the InChIKey of 3-[(2S)-4-(1,3-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]pyrazin-2-amine?
The InChIKey is WIHAUFYSZYOKBO-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N6O3S/c1-9-11(8-18(2)17-9)23(20,21)19-5-6-22-10(7-19)12-13(14)16-4-3-15-12/h3-4,8,10H,5-7H2,1-2H3,(H2,14,16)/t10-/m0/s1.
What are the key properties of 3-[(2S)-4-(1,3-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]pyrazin-2-amine?
3-[(2S)-4-(1,3-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]pyrazin-2-amine has a molecular weight of 338.39 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-4-(1,3-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]pyrazin-2-amine is sourced from PubChem (CID 125013873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).