8a-(methoxymethyl)-2-methylsulfonyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine

C10H20N2O3S — CID 164922505

IUPAC8a-(methoxymethyl)-2-methylsulfonyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine
SMILESCOCC12CCCN1CCN(S(C)(=O)=O)C2
InChIInChI=1S/C10H20N2O3S/c1-15-9-10-4-3-5-11(10)6-7-12(8-10)16(2,13)14/h3-9H2,1-2H3
InChIKeyLMFLTKFLBLDZGC-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.26
Rot. Bonds3

About 8a-(methoxymethyl)-2-methylsulfonyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine

8a-(methoxymethyl)-2-methylsulfonyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine (PubChem CID 164922505) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 8a-(methoxymethyl)-2-methylsulfonyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name8a-(methoxymethyl)-2-methylsulfonyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine
PubChem CID164922505
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name8a-(methoxymethyl)-2-methylsulfonyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine
SMILESCOCC12CCCN1CCN(S(C)(=O)=O)C2
InChIInChI=1S/C10H20N2O3S/c1-15-9-10-4-3-5-11(10)6-7-12(8-10)16(2,13)14/h3-9H2,1-2H3
InChIKeyLMFLTKFLBLDZGC-UHFFFAOYSA-N
XLogP-0.26
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8a-(methoxymethyl)-2-methylsulfonyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine 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

ethane;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 168942817
8a-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine;ethane
CID 164878560
8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;methyl formate
CID 171786358
[1-(4-methylsulfonylpiperazin-1-yl)cyclopropyl]methanamine
CID 106661212
ethane;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;methyl N-methylcarbamate
CID 166533544
8-[[1-(methoxymethyl)cyclopropyl]methyl]-2-methylsulfonyl-2,8-diazaspiro[4.5]decane
CID 174181529
ethane;[2-fluoro-8-(methoxymethyl)-3,5,6,7-tetrahydro-1H-pyrrolizin-2-yl]phosphane
CID 168881236
(8S)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-6-ide;rubidium(1+)
CID 176714593
[3-(4-methylsulfonylpiperazin-1-yl)oxolan-3-yl]methanamine
CID 63335341
8-(ethenoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 177033593
3,3-difluoro-1-methylsulfonylpiperidine
CID 164644528
(2R,8R)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 164903949

Frequently Asked Questions

What is the IUPAC name of 8a-(methoxymethyl)-2-methylsulfonyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine?
The IUPAC name of 8a-(methoxymethyl)-2-methylsulfonyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine (CID 164922505) is 8a-(methoxymethyl)-2-methylsulfonyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 8a-(methoxymethyl)-2-methylsulfonyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine?
The canonical SMILES for 8a-(methoxymethyl)-2-methylsulfonyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine is COCC12CCCN1CCN(S(C)(=O)=O)C2.
What is the InChIKey of 8a-(methoxymethyl)-2-methylsulfonyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine?
The InChIKey is LMFLTKFLBLDZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-15-9-10-4-3-5-11(10)6-7-12(8-10)16(2,13)14/h3-9H2,1-2H3.
What are the key properties of 8a-(methoxymethyl)-2-methylsulfonyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine?
8a-(methoxymethyl)-2-methylsulfonyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine has a molecular weight of 248.35 g/mol, XLogP of -0.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-(methoxymethyl)-2-methylsulfonyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 164922505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).