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

C19H18N4O3S2 — CID 663725

IUPAC1-(oxolan-2-ylmethyl)-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine
SMILESNc1c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc2n1CC1CCCO1
InChIInChI=1S/C19H18N4O3S2/c20-18-17(28(24,25)15-8-4-10-27-15)16-19(23(18)11-12-5-3-9-26-12)22-14-7-2-1-6-13(14)21-16/h1-2,4,6-8,10,12H,3,5,9,11,20H2
InChIKeyBGRMFHLCLVIADV-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.24
Rot. Bonds4

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

1-(oxolan-2-ylmethyl)-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine (PubChem CID 663725) has the molecular formula C19H18N4O3S2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 1-(oxolan-2-ylmethyl)-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine.

Molecular Properties

Compound Name1-(oxolan-2-ylmethyl)-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine
PubChem CID663725
Molecular FormulaC19H18N4O3S2
Molecular Weight414.51 g/mol
Exact Mass414.08
IUPAC Name1-(oxolan-2-ylmethyl)-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine
SMILESNc1c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc2n1CC1CCCO1
InChIInChI=1S/C19H18N4O3S2/c20-18-17(28(24,25)15-8-4-10-27-15)16-19(23(18)11-12-5-3-9-26-12)22-14-7-2-1-6-13(14)21-16/h1-2,4,6-8,10,12H,3,5,9,11,20H2
InChIKeyBGRMFHLCLVIADV-UHFFFAOYSA-N
XLogP3.24
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-ylmethyl)-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine?
The IUPAC name of 1-(oxolan-2-ylmethyl)-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine (CID 663725) is 1-(oxolan-2-ylmethyl)-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine.
What is the SMILES notation for 1-(oxolan-2-ylmethyl)-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine?
The canonical SMILES for 1-(oxolan-2-ylmethyl)-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine is Nc1c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc2n1CC1CCCO1.
What is the InChIKey of 1-(oxolan-2-ylmethyl)-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine?
The InChIKey is BGRMFHLCLVIADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S2/c20-18-17(28(24,25)15-8-4-10-27-15)16-19(23(18)11-12-5-3-9-26-12)22-14-7-2-1-6-13(14)21-16/h1-2,4,6-8,10,12H,3,5,9,11,20H2.
What are the key properties of 1-(oxolan-2-ylmethyl)-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine?
1-(oxolan-2-ylmethyl)-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine has a molecular weight of 414.51 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-ylmethyl)-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine is sourced from PubChem (CID 663725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).