N,N-dimethyl-3-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyrrolo[1,2-a]pyrazin-1-amine

C14H20N4O2S — CID 124985854

IUPACN,N-dimethyl-3-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyrrolo[1,2-a]pyrazin-1-amine
SMILESCN(C)c1nc([C@H]2CCCN2S(C)(=O)=O)cn2cccc12
InChIInChI=1S/C14H20N4O2S/c1-16(2)14-13-7-4-8-17(13)10-11(15-14)12-6-5-9-18(12)21(3,19)20/h4,7-8,10,12H,5-6,9H2,1-3H3/t12-/m1/s1
InChIKeyNUOQHDOOAUGJJW-GFCCVEGCSA-N
MW308.41 g/mol
LogP1.50
Rot. Bonds3

About N,N-dimethyl-3-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyrrolo[1,2-a]pyrazin-1-amine

N,N-dimethyl-3-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyrrolo[1,2-a]pyrazin-1-amine (PubChem CID 124985854) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N,N-dimethyl-3-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyrrolo[1,2-a]pyrazin-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyrrolo[1,2-a]pyrazin-1-amine
PubChem CID124985854
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN,N-dimethyl-3-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyrrolo[1,2-a]pyrazin-1-amine
SMILESCN(C)c1nc([C@H]2CCCN2S(C)(=O)=O)cn2cccc12
InChIInChI=1S/C14H20N4O2S/c1-16(2)14-13-7-4-8-17(13)10-11(15-14)12-6-5-9-18(12)21(3,19)20/h4,7-8,10,12H,5-6,9H2,1-3H3/t12-/m1/s1
InChIKeyNUOQHDOOAUGJJW-GFCCVEGCSA-N
XLogP1.50
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-3-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyrrolo[1,2-a]pyrazin-1-amine with MolForge

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Related Compounds

3-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-N,N-dimethylpyrrolo[1,2-a]pyrazin-1-amine
CID 124970525
1-[2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-3-methoxypropan-1-one
CID 110098691
1-[(2S)-2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 124961091
N,N-dimethyl-3-[(2R)-1-(pyrazin-2-ylmethyl)pyrrolidin-2-yl]pyrrolo[1,2-a]pyrazin-1-amine
CID 125009007
N,N-dimethyl-3-[(2R)-piperidin-2-yl]pyrrolo[1,2-a]pyrazin-1-amine
CID 129406964
[2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]-quinolin-3-ylmethanone
CID 110110920
[2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 110098694
N,N-dimethyl-3-[(3R)-1-(2-methylpyrimidin-4-yl)piperidin-3-yl]pyrrolo[1,2-a]pyrazin-1-amine
CID 125011669
2-[(4-fluorophenyl)methyl]-6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine
CID 95817970
2-imidazol-1-yl-6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]pyridine
CID 95838660
2-[[6-[(2S)-1-methylsulfonylpyrrolidin-2-yl]-2-pyridinyl]amino]ethanol
CID 95846391
2-(5-methyl-1H-pyrazol-3-yl)-6-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyridine
CID 125001106

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyrrolo[1,2-a]pyrazin-1-amine?
The IUPAC name of N,N-dimethyl-3-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyrrolo[1,2-a]pyrazin-1-amine (CID 124985854) is N,N-dimethyl-3-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyrrolo[1,2-a]pyrazin-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyrrolo[1,2-a]pyrazin-1-amine?
The canonical SMILES for N,N-dimethyl-3-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyrrolo[1,2-a]pyrazin-1-amine is CN(C)c1nc([C@H]2CCCN2S(C)(=O)=O)cn2cccc12.
What is the InChIKey of N,N-dimethyl-3-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyrrolo[1,2-a]pyrazin-1-amine?
The InChIKey is NUOQHDOOAUGJJW-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-16(2)14-13-7-4-8-17(13)10-11(15-14)12-6-5-9-18(12)21(3,19)20/h4,7-8,10,12H,5-6,9H2,1-3H3/t12-/m1/s1.
What are the key properties of N,N-dimethyl-3-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyrrolo[1,2-a]pyrazin-1-amine?
N,N-dimethyl-3-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyrrolo[1,2-a]pyrazin-1-amine has a molecular weight of 308.41 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(2R)-1-methylsulfonylpyrrolidin-2-yl]pyrrolo[1,2-a]pyrazin-1-amine is sourced from PubChem (CID 124985854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).