(5R)-N,N-dimethyl-5-[(2-oxopyrrolidin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-sulfonamide

C13H21N5O3S — CID 124804446

IUPAC(5R)-N,N-dimethyl-5-[(2-oxopyrrolidin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-sulfonamide
SMILESCN(C)S(=O)(=O)N1Cc2cncn2[C@H](CN2CCCC2=O)C1
InChIInChI=1S/C13H21N5O3S/c1-15(2)22(20,21)17-8-11-6-14-10-18(11)12(9-17)7-16-5-3-4-13(16)19/h6,10,12H,3-5,7-9H2,1-2H3/t12-/m1/s1
InChIKeyVUVNXTRODSASBY-GFCCVEGCSA-N
MW327.41 g/mol
LogP-0.33
Rot. Bonds4

About (5R)-N,N-dimethyl-5-[(2-oxopyrrolidin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-sulfonamide

(5R)-N,N-dimethyl-5-[(2-oxopyrrolidin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-sulfonamide (PubChem CID 124804446) has the molecular formula C13H21N5O3S and a molecular weight of 327.41 g/mol. Its IUPAC name is (5R)-N,N-dimethyl-5-[(2-oxopyrrolidin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-sulfonamide.

Molecular Properties

Compound Name(5R)-N,N-dimethyl-5-[(2-oxopyrrolidin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-sulfonamide
PubChem CID124804446
Molecular FormulaC13H21N5O3S
Molecular Weight327.41 g/mol
Exact Mass327.14
IUPAC Name(5R)-N,N-dimethyl-5-[(2-oxopyrrolidin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-sulfonamide
SMILESCN(C)S(=O)(=O)N1Cc2cncn2[C@H](CN2CCCC2=O)C1
InChIInChI=1S/C13H21N5O3S/c1-15(2)22(20,21)17-8-11-6-14-10-18(11)12(9-17)7-16-5-3-4-13(16)19/h6,10,12H,3-5,7-9H2,1-2H3/t12-/m1/s1
InChIKeyVUVNXTRODSASBY-GFCCVEGCSA-N
XLogP-0.33
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-N,N-dimethyl-5-[(2-oxopyrrolidin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-sulfonamide?
The IUPAC name of (5R)-N,N-dimethyl-5-[(2-oxopyrrolidin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-sulfonamide (CID 124804446) is (5R)-N,N-dimethyl-5-[(2-oxopyrrolidin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-sulfonamide.
What is the SMILES notation for (5R)-N,N-dimethyl-5-[(2-oxopyrrolidin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-sulfonamide?
The canonical SMILES for (5R)-N,N-dimethyl-5-[(2-oxopyrrolidin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-sulfonamide is CN(C)S(=O)(=O)N1Cc2cncn2[C@H](CN2CCCC2=O)C1.
What is the InChIKey of (5R)-N,N-dimethyl-5-[(2-oxopyrrolidin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-sulfonamide?
The InChIKey is VUVNXTRODSASBY-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H21N5O3S/c1-15(2)22(20,21)17-8-11-6-14-10-18(11)12(9-17)7-16-5-3-4-13(16)19/h6,10,12H,3-5,7-9H2,1-2H3/t12-/m1/s1.
What are the key properties of (5R)-N,N-dimethyl-5-[(2-oxopyrrolidin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-sulfonamide?
(5R)-N,N-dimethyl-5-[(2-oxopyrrolidin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-sulfonamide has a molecular weight of 327.41 g/mol, XLogP of -0.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N,N-dimethyl-5-[(2-oxopyrrolidin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-sulfonamide is sourced from PubChem (CID 124804446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).