N,N-dimethyl-6-(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)oxypyrazin-2-amine

C14H18N4O3S2 — CID 90638074

IUPACN,N-dimethyl-6-(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)oxypyrazin-2-amine
SMILESCN(C)c1cncc(OC2CCN(S(=O)(=O)c3cccs3)C2)n1
InChIInChI=1S/C14H18N4O3S2/c1-17(2)12-8-15-9-13(16-12)21-11-5-6-18(10-11)23(19,20)14-4-3-7-22-14/h3-4,7-9,11H,5-6,10H2,1-2H3
InChIKeyKOLULGIKDKYYKI-UHFFFAOYSA-N
MW354.46 g/mol
LogP1.45
Rot. Bonds5

About N,N-dimethyl-6-(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)oxypyrazin-2-amine

N,N-dimethyl-6-(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)oxypyrazin-2-amine (PubChem CID 90638074) has the molecular formula C14H18N4O3S2 and a molecular weight of 354.46 g/mol. Its IUPAC name is N,N-dimethyl-6-(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)oxypyrazin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)oxypyrazin-2-amine
PubChem CID90638074
Molecular FormulaC14H18N4O3S2
Molecular Weight354.46 g/mol
Exact Mass354.08
IUPAC NameN,N-dimethyl-6-(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)oxypyrazin-2-amine
SMILESCN(C)c1cncc(OC2CCN(S(=O)(=O)c3cccs3)C2)n1
InChIInChI=1S/C14H18N4O3S2/c1-17(2)12-8-15-9-13(16-12)21-11-5-6-18(10-11)23(19,20)14-4-3-7-22-14/h3-4,7-9,11H,5-6,10H2,1-2H3
InChIKeyKOLULGIKDKYYKI-UHFFFAOYSA-N
XLogP1.45
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-6-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyrazin-2-amine
CID 90638151
6-[1-(2,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-N,N-dimethylpyrazin-2-amine
CID 90638123
5-fluoro-2-[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]oxypyrimidine
CID 129355039
2,4-dimethyl-6-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxypyrimidine
CID 121161086
5-chloro-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxypyridine
CID 71798965
[(3R)-3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-pyrimidin-2-ylmethanone
CID 100619229
2-[1-(4-fluorophenyl)sulfonylpyrrolidin-3-yl]oxy-6-methoxypyrazine
CID 90637612
2-[1-(5-methylthiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 90636381
5-fluoro-2-(1-thiophen-2-ylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122258626
ethyl 3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidine-1-carboxylate
CID 90637870
2-methoxy-6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 100615718
[3-[6-(dimethylamino)pyrazin-2-yl]oxypyrrolidin-1-yl]-(3,5-dimethylphenyl)methanone
CID 90637779

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)oxypyrazin-2-amine?
The IUPAC name of N,N-dimethyl-6-(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)oxypyrazin-2-amine (CID 90638074) is N,N-dimethyl-6-(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)oxypyrazin-2-amine.
What is the SMILES notation for N,N-dimethyl-6-(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)oxypyrazin-2-amine?
The canonical SMILES for N,N-dimethyl-6-(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)oxypyrazin-2-amine is CN(C)c1cncc(OC2CCN(S(=O)(=O)c3cccs3)C2)n1.
What is the InChIKey of N,N-dimethyl-6-(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)oxypyrazin-2-amine?
The InChIKey is KOLULGIKDKYYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S2/c1-17(2)12-8-15-9-13(16-12)21-11-5-6-18(10-11)23(19,20)14-4-3-7-22-14/h3-4,7-9,11H,5-6,10H2,1-2H3.
What are the key properties of N,N-dimethyl-6-(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)oxypyrazin-2-amine?
N,N-dimethyl-6-(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)oxypyrazin-2-amine has a molecular weight of 354.46 g/mol, XLogP of 1.45, 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-(1-thiophen-2-ylsulfonylpyrrolidin-3-yl)oxypyrazin-2-amine is sourced from PubChem (CID 90638074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).