N,N-dimethyl-6-[(3S)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]oxypyrazin-2-amine

C15H19N5O3S — CID 100619744

IUPACN,N-dimethyl-6-[(3S)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]oxypyrazin-2-amine
SMILESCN(C)c1cncc(O[C@H]2CCN(S(=O)(=O)c3cccnc3)C2)n1
InChIInChI=1S/C15H19N5O3S/c1-19(2)14-9-17-10-15(18-14)23-12-5-7-20(11-12)24(21,22)13-4-3-6-16-8-13/h3-4,6,8-10,12H,5,7,11H2,1-2H3/t12-/m0/s1
InChIKeyZUWHXMGEHLNHGU-LBPRGKRZSA-N
MW349.42 g/mol
LogP0.78
Rot. Bonds5

About N,N-dimethyl-6-[(3S)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]oxypyrazin-2-amine

N,N-dimethyl-6-[(3S)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]oxypyrazin-2-amine (PubChem CID 100619744) has the molecular formula C15H19N5O3S and a molecular weight of 349.42 g/mol. Its IUPAC name is N,N-dimethyl-6-[(3S)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]oxypyrazin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-[(3S)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]oxypyrazin-2-amine
PubChem CID100619744
Molecular FormulaC15H19N5O3S
Molecular Weight349.42 g/mol
Exact Mass349.12
IUPAC NameN,N-dimethyl-6-[(3S)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]oxypyrazin-2-amine
SMILESCN(C)c1cncc(O[C@H]2CCN(S(=O)(=O)c3cccnc3)C2)n1
InChIInChI=1S/C15H19N5O3S/c1-19(2)14-9-17-10-15(18-14)23-12-5-7-20(11-12)24(21,22)13-4-3-6-16-8-13/h3-4,6,8-10,12H,5,7,11H2,1-2H3/t12-/m0/s1
InChIKeyZUWHXMGEHLNHGU-LBPRGKRZSA-N
XLogP0.78
TPSA88.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[(3S)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]oxypyrazin-2-amine?
The IUPAC name of N,N-dimethyl-6-[(3S)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]oxypyrazin-2-amine (CID 100619744) is N,N-dimethyl-6-[(3S)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]oxypyrazin-2-amine.
What is the SMILES notation for N,N-dimethyl-6-[(3S)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]oxypyrazin-2-amine?
The canonical SMILES for N,N-dimethyl-6-[(3S)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]oxypyrazin-2-amine is CN(C)c1cncc(O[C@H]2CCN(S(=O)(=O)c3cccnc3)C2)n1.
What is the InChIKey of N,N-dimethyl-6-[(3S)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]oxypyrazin-2-amine?
The InChIKey is ZUWHXMGEHLNHGU-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N5O3S/c1-19(2)14-9-17-10-15(18-14)23-12-5-7-20(11-12)24(21,22)13-4-3-6-16-8-13/h3-4,6,8-10,12H,5,7,11H2,1-2H3/t12-/m0/s1.
What are the key properties of N,N-dimethyl-6-[(3S)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]oxypyrazin-2-amine?
N,N-dimethyl-6-[(3S)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]oxypyrazin-2-amine has a molecular weight of 349.42 g/mol, XLogP of 0.78, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[(3S)-1-pyridin-3-ylsulfonylpyrrolidin-3-yl]oxypyrazin-2-amine is sourced from PubChem (CID 100619744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).