2-(5-methylthiophen-2-yl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine

C12H14N2O2S2 — CID 110423501

IUPAC2-(5-methylthiophen-2-yl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCc1ccc(S(=O)(=O)N2CCn3cccc3C2)s1
InChIInChI=1S/C12H14N2O2S2/c1-10-4-5-12(17-10)18(15,16)14-8-7-13-6-2-3-11(13)9-14/h2-6H,7-9H2,1H3
InChIKeyYIPPKOVEEXUJMJ-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.06
Rot. Bonds2

About 2-(5-methylthiophen-2-yl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine

2-(5-methylthiophen-2-yl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 110423501) has the molecular formula C12H14N2O2S2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(5-methylthiophen-2-yl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID110423501
Molecular FormulaC12H14N2O2S2
Molecular Weight282.39 g/mol
Exact Mass282.05
IUPAC Name2-(5-methylthiophen-2-yl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCc1ccc(S(=O)(=O)N2CCn3cccc3C2)s1
InChIInChI=1S/C12H14N2O2S2/c1-10-4-5-12(17-10)18(15,16)14-8-7-13-6-2-3-11(13)9-14/h2-6H,7-9H2,1H3
InChIKeyYIPPKOVEEXUJMJ-UHFFFAOYSA-N
XLogP2.06
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chloro-4-methylphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 110646847
2-(4-methoxyphenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 110646823
2-(2-chlorophenyl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 110646869
1-(2-chlorophenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 51182519
[4-(5-methylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-phenylmethanone
CID 110798201
[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 110805245
1-cyclopentyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 110708935
3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidine
CID 4729251
4-(benzenesulfonyl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine
CID 90589444
3-methyl-1-(5-methylthiophen-2-yl)sulfonylpiperidin-3-ol
CID 113343869
1-(2-tert-butylphenyl)-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 113076523
1-[(4-methylphenyl)methyl]-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 27429093

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-2-yl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 2-(5-methylthiophen-2-yl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (CID 110423501) is 2-(5-methylthiophen-2-yl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 2-(5-methylthiophen-2-yl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 2-(5-methylthiophen-2-yl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is Cc1ccc(S(=O)(=O)N2CCn3cccc3C2)s1.
What is the InChIKey of 2-(5-methylthiophen-2-yl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is YIPPKOVEEXUJMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S2/c1-10-4-5-12(17-10)18(15,16)14-8-7-13-6-2-3-11(13)9-14/h2-6H,7-9H2,1H3.
What are the key properties of 2-(5-methylthiophen-2-yl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
2-(5-methylthiophen-2-yl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 282.39 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-2-yl)sulfonyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 110423501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).