3-[(2R)-4-(1,3-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]-N-methylpyrazin-2-amine

C14H20N6O3S — CID 125005024

IUPAC3-[(2R)-4-(1,3-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]-N-methylpyrazin-2-amine
SMILESCNc1nccnc1[C@H]1CN(S(=O)(=O)c2cn(C)nc2C)CCO1
InChIInChI=1S/C14H20N6O3S/c1-10-12(9-19(3)18-10)24(21,22)20-6-7-23-11(8-20)13-14(15-2)17-5-4-16-13/h4-5,9,11H,6-8H2,1-3H3,(H,15,17)/t11-/m1/s1
InChIKeyTWMBVUZHEFTSJV-LLVKDONJSA-N
MW352.42 g/mol
LogP0.32
Rot. Bonds4

About 3-[(2R)-4-(1,3-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]-N-methylpyrazin-2-amine

3-[(2R)-4-(1,3-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]-N-methylpyrazin-2-amine (PubChem CID 125005024) has the molecular formula C14H20N6O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is 3-[(2R)-4-(1,3-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name3-[(2R)-4-(1,3-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]-N-methylpyrazin-2-amine
PubChem CID125005024
Molecular FormulaC14H20N6O3S
Molecular Weight352.42 g/mol
Exact Mass352.13
IUPAC Name3-[(2R)-4-(1,3-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]-N-methylpyrazin-2-amine
SMILESCNc1nccnc1[C@H]1CN(S(=O)(=O)c2cn(C)nc2C)CCO1
InChIInChI=1S/C14H20N6O3S/c1-10-12(9-19(3)18-10)24(21,22)20-6-7-23-11(8-20)13-14(15-2)17-5-4-16-13/h4-5,9,11H,6-8H2,1-3H3,(H,15,17)/t11-/m1/s1
InChIKeyTWMBVUZHEFTSJV-LLVKDONJSA-N
XLogP0.32
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[(2S)-4-(1,3-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]pyrazin-2-amine
CID 125013873
N-methyl-3-[(2R)-4-(4-methylphenyl)sulfonylmorpholin-2-yl]pyrazin-2-amine
CID 124974810
4-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-2-[3-(4-methoxyphenyl)pyrazin-2-yl]morpholine
CID 127251185
N-methyl-3-[4-[(3-methylimidazol-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine
CID 110112883
2-[(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-4-methylpyrimidine
CID 124949714
3-[(2R)-4-(4,6-dimethylpyrimidin-2-yl)morpholin-2-yl]-N-methylpyrazin-2-amine
CID 124958682
2-[(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-4,6-dimethylpyrimidine
CID 95829889
[4-[[2-(methylamino)-3-pyridinyl]sulfonyl]morpholin-2-yl]methanol
CID 81213010
N-methyl-6-[4-(1-methylpyrazol-4-yl)sulfonylmorpholin-2-yl]pyridin-3-amine
CID 110272045
(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 7026133
(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 7017717
N-methyl-3-[4-(6-methyl-2-pyridinyl)morpholin-2-yl]pyrazin-2-amine
CID 110112930

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-4-(1,3-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]-N-methylpyrazin-2-amine?
The IUPAC name of 3-[(2R)-4-(1,3-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]-N-methylpyrazin-2-amine (CID 125005024) is 3-[(2R)-4-(1,3-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]-N-methylpyrazin-2-amine.
What is the SMILES notation for 3-[(2R)-4-(1,3-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]-N-methylpyrazin-2-amine?
The canonical SMILES for 3-[(2R)-4-(1,3-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]-N-methylpyrazin-2-amine is CNc1nccnc1[C@H]1CN(S(=O)(=O)c2cn(C)nc2C)CCO1.
What is the InChIKey of 3-[(2R)-4-(1,3-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]-N-methylpyrazin-2-amine?
The InChIKey is TWMBVUZHEFTSJV-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N6O3S/c1-10-12(9-19(3)18-10)24(21,22)20-6-7-23-11(8-20)13-14(15-2)17-5-4-16-13/h4-5,9,11H,6-8H2,1-3H3,(H,15,17)/t11-/m1/s1.
What are the key properties of 3-[(2R)-4-(1,3-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]-N-methylpyrazin-2-amine?
3-[(2R)-4-(1,3-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]-N-methylpyrazin-2-amine has a molecular weight of 352.42 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-4-(1,3-dimethylpyrazol-4-yl)sulfonylmorpholin-2-yl]-N-methylpyrazin-2-amine is sourced from PubChem (CID 125005024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).