(2R)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide

C13H23N5O2S — CID 124977694

IUPAC(2R)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
SMILESCN(C)Cc1cncc([C@H]2CCCN2S(=O)(=O)N(C)C)n1
InChIInChI=1S/C13H23N5O2S/c1-16(2)10-11-8-14-9-12(15-11)13-6-5-7-18(13)21(19,20)17(3)4/h8-9,13H,5-7,10H2,1-4H3/t13-/m1/s1
InChIKeyLOINLSYLWABRJK-CYBMUJFWSA-N
MW313.43 g/mol
LogP0.48
Rot. Bonds5

About (2R)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide

(2R)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide (PubChem CID 124977694) has the molecular formula C13H23N5O2S and a molecular weight of 313.43 g/mol. Its IUPAC name is (2R)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(2R)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
PubChem CID124977694
Molecular FormulaC13H23N5O2S
Molecular Weight313.43 g/mol
Exact Mass313.16
IUPAC Name(2R)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
SMILESCN(C)Cc1cncc([C@H]2CCCN2S(=O)(=O)N(C)C)n1
InChIInChI=1S/C13H23N5O2S/c1-16(2)10-11-8-14-9-12(15-11)13-6-5-7-18(13)21(19,20)17(3)4/h8-9,13H,5-7,10H2,1-4H3/t13-/m1/s1
InChIKeyLOINLSYLWABRJK-CYBMUJFWSA-N
XLogP0.48
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide?
The IUPAC name of (2R)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide (CID 124977694) is (2R)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide.
What is the SMILES notation for (2R)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide?
The canonical SMILES for (2R)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide is CN(C)Cc1cncc([C@H]2CCCN2S(=O)(=O)N(C)C)n1.
What is the InChIKey of (2R)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide?
The InChIKey is LOINLSYLWABRJK-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H23N5O2S/c1-16(2)10-11-8-14-9-12(15-11)13-6-5-7-18(13)21(19,20)17(3)4/h8-9,13H,5-7,10H2,1-4H3/t13-/m1/s1.
What are the key properties of (2R)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide?
(2R)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide has a molecular weight of 313.43 g/mol, XLogP of 0.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[6-[(dimethylamino)methyl]pyrazin-2-yl]-N,N-dimethylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 124977694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).