(9aS)-8-methyl-2-(1-methylsulfonylpiperidin-4-yl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione

C14H24N4O4S — CID 95140351

IUPAC(9aS)-8-methyl-2-(1-methylsulfonylpiperidin-4-yl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
SMILESCN1CC(=O)N2CCN(C3CCN(S(C)(=O)=O)CC3)C[C@H]2C1=O
InChIInChI=1S/C14H24N4O4S/c1-15-10-13(19)18-8-7-16(9-12(18)14(15)20)11-3-5-17(6-4-11)23(2,21)22/h11-12H,3-10H2,1-2H3/t12-/m0/s1
InChIKeyUPXZQZRZTAKGNP-LBPRGKRZSA-N
MW344.44 g/mol
LogP-1.60
Rot. Bonds2

About (9aS)-8-methyl-2-(1-methylsulfonylpiperidin-4-yl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione

(9aS)-8-methyl-2-(1-methylsulfonylpiperidin-4-yl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione (PubChem CID 95140351) has the molecular formula C14H24N4O4S and a molecular weight of 344.44 g/mol. Its IUPAC name is (9aS)-8-methyl-2-(1-methylsulfonylpiperidin-4-yl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione.

Molecular Properties

Compound Name(9aS)-8-methyl-2-(1-methylsulfonylpiperidin-4-yl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
PubChem CID95140351
Molecular FormulaC14H24N4O4S
Molecular Weight344.44 g/mol
Exact Mass344.15
IUPAC Name(9aS)-8-methyl-2-(1-methylsulfonylpiperidin-4-yl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
SMILESCN1CC(=O)N2CCN(C3CCN(S(C)(=O)=O)CC3)C[C@H]2C1=O
InChIInChI=1S/C14H24N4O4S/c1-15-10-13(19)18-8-7-16(9-12(18)14(15)20)11-3-5-17(6-4-11)23(2,21)22/h11-12H,3-10H2,1-2H3/t12-/m0/s1
InChIKeyUPXZQZRZTAKGNP-LBPRGKRZSA-N
XLogP-1.60
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 5-1.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (9aS)-8-methyl-2-(1-methylsulfonylpiperidin-4-yl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-methyl-2-(trifluoromethylsulfonyl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 15130034
(2S)-1-methyl-4-(1-methylsulfonylpiperidin-4-yl)-2-phenylpiperazine
CID 124988403
(2R)-1-methyl-4-(1-methylsulfonylpiperidin-4-yl)-2-phenylpiperazine
CID 124988402
(9aR)-2-(4-chlorophenyl)sulfonyl-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 56858855
(9aR)-2-(5-chlorothiophen-2-yl)sulfonyl-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 95143677
2-(cyclohexanecarbonyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 73134658
4-amino-1-(1-methylsulfonylpiperidin-4-yl)pyrrolidin-2-one
CID 168699642
1-methyl-4-(1-methylsulfonylpiperidin-4-yl)-1,4-diazepane-6-carboxamide
CID 110107391
8-amino-2-methyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 82398958
2-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 74242811
N-[(1R,3S)-3-[(9aR)-8-methyl-6,9-dioxo-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]cyclohexyl]-4-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 167348506
7-cyclobutyl-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 163068365

Frequently Asked Questions

What is the IUPAC name of (9aS)-8-methyl-2-(1-methylsulfonylpiperidin-4-yl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
The IUPAC name of (9aS)-8-methyl-2-(1-methylsulfonylpiperidin-4-yl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione (CID 95140351) is (9aS)-8-methyl-2-(1-methylsulfonylpiperidin-4-yl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione.
What is the SMILES notation for (9aS)-8-methyl-2-(1-methylsulfonylpiperidin-4-yl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
The canonical SMILES for (9aS)-8-methyl-2-(1-methylsulfonylpiperidin-4-yl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione is CN1CC(=O)N2CCN(C3CCN(S(C)(=O)=O)CC3)C[C@H]2C1=O.
What is the InChIKey of (9aS)-8-methyl-2-(1-methylsulfonylpiperidin-4-yl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
The InChIKey is UPXZQZRZTAKGNP-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24N4O4S/c1-15-10-13(19)18-8-7-16(9-12(18)14(15)20)11-3-5-17(6-4-11)23(2,21)22/h11-12H,3-10H2,1-2H3/t12-/m0/s1.
What are the key properties of (9aS)-8-methyl-2-(1-methylsulfonylpiperidin-4-yl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione?
(9aS)-8-methyl-2-(1-methylsulfonylpiperidin-4-yl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione has a molecular weight of 344.44 g/mol, XLogP of -1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9aS)-8-methyl-2-(1-methylsulfonylpiperidin-4-yl)-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione is sourced from PubChem (CID 95140351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).