[5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]thiophen-2-yl]methanamine

C13H21N3O2S2 — CID 79942950

IUPAC[5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]thiophen-2-yl]methanamine
SMILESCC1CN2CCCC2CN1S(=O)(=O)c1ccc(CN)s1
InChIInChI=1S/C13H21N3O2S2/c1-10-8-15-6-2-3-11(15)9-16(10)20(17,18)13-5-4-12(7-14)19-13/h4-5,10-11H,2-3,6-9,14H2,1H3
InChIKeyZELGFTMAKQWWSX-UHFFFAOYSA-N
MW315.46 g/mol
LogP1.06
Rot. Bonds3

About [5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]thiophen-2-yl]methanamine

[5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]thiophen-2-yl]methanamine (PubChem CID 79942950) has the molecular formula C13H21N3O2S2 and a molecular weight of 315.46 g/mol. Its IUPAC name is [5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]thiophen-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]thiophen-2-yl]methanamine
PubChem CID79942950
Molecular FormulaC13H21N3O2S2
Molecular Weight315.46 g/mol
Exact Mass315.11
IUPAC Name[5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]thiophen-2-yl]methanamine
SMILESCC1CN2CCCC2CN1S(=O)(=O)c1ccc(CN)s1
InChIInChI=1S/C13H21N3O2S2/c1-10-8-15-6-2-3-11(15)9-16(10)20(17,18)13-5-4-12(7-14)19-13/h4-5,10-11H,2-3,6-9,14H2,1H3
InChIKeyZELGFTMAKQWWSX-UHFFFAOYSA-N
XLogP1.06
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]thiophen-2-yl]methanamine with MolForge

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Related Compounds

[3-[(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)sulfonyl]thiophen-2-yl]methanamine
CID 79919969
1-[5-(aminomethyl)thiophen-2-yl]sulfonyl-6-methylpiperidine-3-carboxamide
CID 106266279
4-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]aniline
CID 79941038
2-[5-(2-methylpyrrolidin-1-yl)sulfonylthiophen-2-yl]ethanamine
CID 54882469
2-(2,6-difluorophenyl)sulfonyl-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 71931391
2-(2-bromophenyl)sulfonyl-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 78959724
5-methyl-2-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]aniline
CID 79928713
2-chloro-4-methyl-5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-1,3-thiazole
CID 79477565
2-[5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)sulfonylthiophen-2-yl]ethanamine
CID 63540471
2-(2-bromo-4-methylphenyl)sulfonyl-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 78959685
3-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]-1H-pyridin-4-one
CID 79946198
(3S,8aR)-2-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 95768177

Frequently Asked Questions

What is the IUPAC name of [5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]thiophen-2-yl]methanamine?
The IUPAC name of [5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]thiophen-2-yl]methanamine (CID 79942950) is [5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]thiophen-2-yl]methanamine.
What is the SMILES notation for [5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]thiophen-2-yl]methanamine?
The canonical SMILES for [5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]thiophen-2-yl]methanamine is CC1CN2CCCC2CN1S(=O)(=O)c1ccc(CN)s1.
What is the InChIKey of [5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]thiophen-2-yl]methanamine?
The InChIKey is ZELGFTMAKQWWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S2/c1-10-8-15-6-2-3-11(15)9-16(10)20(17,18)13-5-4-12(7-14)19-13/h4-5,10-11H,2-3,6-9,14H2,1H3.
What are the key properties of [5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]thiophen-2-yl]methanamine?
[5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]thiophen-2-yl]methanamine has a molecular weight of 315.46 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)sulfonyl]thiophen-2-yl]methanamine is sourced from PubChem (CID 79942950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).