1-(2-methylpropyl)-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine

C18H18N4O2S2 — CID 664639

IUPAC1-(2-methylpropyl)-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine
SMILESCC(C)Cn1c(N)c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21
InChIInChI=1S/C18H18N4O2S2/c1-11(2)10-22-17(19)16(26(23,24)14-8-5-9-25-14)15-18(22)21-13-7-4-3-6-12(13)20-15/h3-9,11H,10,19H2,1-2H3
InChIKeyFTCSQMIDSDERNY-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.72
Rot. Bonds4

About 1-(2-methylpropyl)-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine

1-(2-methylpropyl)-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine (PubChem CID 664639) has the molecular formula C18H18N4O2S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine
PubChem CID664639
Molecular FormulaC18H18N4O2S2
Molecular Weight386.50 g/mol
Exact Mass386.09
IUPAC Name1-(2-methylpropyl)-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine
SMILESCC(C)Cn1c(N)c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21
InChIInChI=1S/C18H18N4O2S2/c1-11(2)10-22-17(19)16(26(23,24)14-8-5-9-25-14)15-18(22)21-13-7-4-3-6-12(13)20-15/h3-9,11H,10,19H2,1-2H3
InChIKeyFTCSQMIDSDERNY-UHFFFAOYSA-N
XLogP3.72
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine?
The IUPAC name of 1-(2-methylpropyl)-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine (CID 664639) is 1-(2-methylpropyl)-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine.
What is the SMILES notation for 1-(2-methylpropyl)-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine?
The canonical SMILES for 1-(2-methylpropyl)-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine is CC(C)Cn1c(N)c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21.
What is the InChIKey of 1-(2-methylpropyl)-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine?
The InChIKey is FTCSQMIDSDERNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S2/c1-11(2)10-22-17(19)16(26(23,24)14-8-5-9-25-14)15-18(22)21-13-7-4-3-6-12(13)20-15/h3-9,11H,10,19H2,1-2H3.
What are the key properties of 1-(2-methylpropyl)-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine?
1-(2-methylpropyl)-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine has a molecular weight of 386.50 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine is sourced from PubChem (CID 664639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).