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

C14H23N5O3S — CID 90638151

IUPACN,N-dimethyl-6-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyrazin-2-amine
SMILESCN(C)c1cncc(OC2CCN(S(=O)(=O)N3CCCC3)C2)n1
InChIInChI=1S/C14H23N5O3S/c1-17(2)13-9-15-10-14(16-13)22-12-5-8-19(11-12)23(20,21)18-6-3-4-7-18/h9-10,12H,3-8,11H2,1-2H3
InChIKeyBVGNSONNSXQCBK-UHFFFAOYSA-N
MW341.44 g/mol
LogP0.34
Rot. Bonds5

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

N,N-dimethyl-6-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyrazin-2-amine (PubChem CID 90638151) has the molecular formula C14H23N5O3S and a molecular weight of 341.44 g/mol. Its IUPAC name is N,N-dimethyl-6-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyrazin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyrazin-2-amine
PubChem CID90638151
Molecular FormulaC14H23N5O3S
Molecular Weight341.44 g/mol
Exact Mass341.15
IUPAC NameN,N-dimethyl-6-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyrazin-2-amine
SMILESCN(C)c1cncc(OC2CCN(S(=O)(=O)N3CCCC3)C2)n1
InChIInChI=1S/C14H23N5O3S/c1-17(2)13-9-15-10-14(16-13)22-12-5-8-19(11-12)23(20,21)18-6-3-4-7-18/h9-10,12H,3-8,11H2,1-2H3
InChIKeyBVGNSONNSXQCBK-UHFFFAOYSA-N
XLogP0.34
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyrazin-2-amine?
The IUPAC name of N,N-dimethyl-6-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyrazin-2-amine (CID 90638151) is N,N-dimethyl-6-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyrazin-2-amine.
What is the SMILES notation for N,N-dimethyl-6-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyrazin-2-amine?
The canonical SMILES for N,N-dimethyl-6-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyrazin-2-amine is CN(C)c1cncc(OC2CCN(S(=O)(=O)N3CCCC3)C2)n1.
What is the InChIKey of N,N-dimethyl-6-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyrazin-2-amine?
The InChIKey is BVGNSONNSXQCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O3S/c1-17(2)13-9-15-10-14(16-13)22-12-5-8-19(11-12)23(20,21)18-6-3-4-7-18/h9-10,12H,3-8,11H2,1-2H3.
What are the key properties of N,N-dimethyl-6-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyrazin-2-amine?
N,N-dimethyl-6-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyrazin-2-amine has a molecular weight of 341.44 g/mol, XLogP of 0.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-(1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl)oxypyrazin-2-amine is sourced from PubChem (CID 90638151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).