1-prop-2-enyl-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine

C17H14N4O2S2 — CID 665001

IUPAC1-prop-2-enyl-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine
SMILESC=CCn1c(N)c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21
InChIInChI=1S/C17H14N4O2S2/c1-2-9-21-16(18)15(25(22,23)13-8-5-10-24-13)14-17(21)20-12-7-4-3-6-11(12)19-14/h2-8,10H,1,9,18H2
InChIKeyNZVUUDIKFLEQDP-UHFFFAOYSA-N
MW370.46 g/mol
LogP3.25
Rot. Bonds4

About 1-prop-2-enyl-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine

1-prop-2-enyl-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine (PubChem CID 665001) has the molecular formula C17H14N4O2S2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 1-prop-2-enyl-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine.

Molecular Properties

Compound Name1-prop-2-enyl-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine
PubChem CID665001
Molecular FormulaC17H14N4O2S2
Molecular Weight370.46 g/mol
Exact Mass370.06
IUPAC Name1-prop-2-enyl-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine
SMILESC=CCn1c(N)c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21
InChIInChI=1S/C17H14N4O2S2/c1-2-9-21-16(18)15(25(22,23)13-8-5-10-24-13)14-17(21)20-12-7-4-3-6-11(12)19-14/h2-8,10H,1,9,18H2
InChIKeyNZVUUDIKFLEQDP-UHFFFAOYSA-N
XLogP3.25
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Benzyl-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine
CID 2021006
Agl 2043
CID 9817165
1-(4-fluorophenyl)-3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine
CID 1915791
3-(2-Methoxyethyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline
CID 1947381
3-(3-Methoxypropyl)-2-thiophen-2-ylimidazo[4,5-b]quinoxaline
CID 2001972
N-(imidazo[1,2-a]pyridin-2-ylmethyl)thiophene-2-sulfonamide
CID 16195623
1-butyl-3-(4-methylbenzenesulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine
CID 1886648
N-[1-Butyl-3-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-yl]-benzenesulfonamide
CID 1930124
N-[1-Allyl-3-(toluene-4-sulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-yl]-benzenesulfonamide
CID 1942142
[3-(1-butyl-1H-imidazol-3-ium-3-yl)quinoxalin-2-yl](thiophen-2-ylsulfonyl)azanide
CID 3751260
N-butyl-3-(phenylsulfonyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-amine
CID 7185121
N-Cyclohexyl-3-(phenylsulfonyl)thieno[2,3-e][1,2,3]triazolo[1,5-a]pyrimidin-5-amine
CID 7185123

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine?
The IUPAC name of 1-prop-2-enyl-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine (CID 665001) is 1-prop-2-enyl-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine.
What is the SMILES notation for 1-prop-2-enyl-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine?
The canonical SMILES for 1-prop-2-enyl-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine is C=CCn1c(N)c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21.
What is the InChIKey of 1-prop-2-enyl-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine?
The InChIKey is NZVUUDIKFLEQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S2/c1-2-9-21-16(18)15(25(22,23)13-8-5-10-24-13)14-17(21)20-12-7-4-3-6-11(12)19-14/h2-8,10H,1,9,18H2.
What are the key properties of 1-prop-2-enyl-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine?
1-prop-2-enyl-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine has a molecular weight of 370.46 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine is sourced from PubChem (CID 665001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).