N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]thiophene-2-sulfonamide

C17H18N4O3S2 — CID 663384

IUPACN-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1NCC1CCCO1)c1cccs1
InChIInChI=1S/C17H18N4O3S2/c22-26(23,15-8-4-10-25-15)21-17-16(18-11-12-5-3-9-24-12)19-13-6-1-2-7-14(13)20-17/h1-2,4,6-8,10,12H,3,5,9,11H2,(H,18,19)(H,20,21)
InChIKeyPTZSACGIMBRBRA-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.08
Rot. Bonds6

About N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]thiophene-2-sulfonamide

N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]thiophene-2-sulfonamide (PubChem CID 663384) has the molecular formula C17H18N4O3S2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]thiophene-2-sulfonamide
PubChem CID663384
Molecular FormulaC17H18N4O3S2
Molecular Weight390.49 g/mol
Exact Mass390.08
IUPAC NameN-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1nc2ccccc2nc1NCC1CCCO1)c1cccs1
InChIInChI=1S/C17H18N4O3S2/c22-26(23,15-8-4-10-25-15)21-17-16(18-11-12-5-3-9-24-12)19-13-6-1-2-7-14(13)20-17/h1-2,4,6-8,10,12H,3,5,9,11H2,(H,18,19)(H,20,21)
InChIKeyPTZSACGIMBRBRA-UHFFFAOYSA-N
XLogP3.08
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(Oxolan-2-ylmethyl)-3-thiophen-2-ylsulfonylpyrrolo[3,2-b]quinoxalin-2-amine
CID 663725
1-((tetrahydrofuran-2-yl)methyl)-3-(thiophen-2-ylsulfonyl)-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 664103
N-[(2Z)-3-(prop-2-en-1-ylamino)quinoxalin-2(1H)-ylidene]thiophene-2-sulfonamide
CID 664470
N-(3-(butylamino)quinoxalin-2-yl)thiophene-2-sulfonamide
CID 664661
2-(3-Pyrrolidin-1-ylquinoxalin-2-yl)-2-thiophen-2-ylsulfonylacetonitrile
CID 667182
1-(3-Isopropoxy-propyl)-3-(thiophene-2-sulfonyl)-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 2005962
1-cyclohexyl-3-(thiophen-2-ylsulfonyl)-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 2022351
4-methyl-N-{3-[(tetrahydrofuran-2-ylmethyl)amino]quinoxalin-2-yl}benzenesulfonamide
CID 3337296
3-Methyl-N-{3-[(tetrahydro-furan-2-ylmethyl)-amino]-quinoxalin-2-yl}-benzenesulfonamide
CID 3564142
1-(phenylsulfonyl)-3-(tetrahydrofuran-2-ylmethyl)-2,3-dihydro-1H-imidazo[4,5-b]quinoxaline
CID 5110043
1-cyclopentyl-3-thiophen-2-ylsulfonyl-2H-imidazo[4,5-b]quinoxaline
CID 1998526
N-[3-(3-methylbutylamino)quinoxalin-2-yl]thiophene-2-sulfonamide
CID 1387370

Frequently Asked Questions

What is the IUPAC name of N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]thiophene-2-sulfonamide (CID 663384) is N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]thiophene-2-sulfonamide is O=S(=O)(Nc1nc2ccccc2nc1NCC1CCCO1)c1cccs1.
What is the InChIKey of N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]thiophene-2-sulfonamide?
The InChIKey is PTZSACGIMBRBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S2/c22-26(23,15-8-4-10-25-15)21-17-16(18-11-12-5-3-9-24-12)19-13-6-1-2-7-14(13)20-17/h1-2,4,6-8,10,12H,3,5,9,11H2,(H,18,19)(H,20,21).
What are the key properties of N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]thiophene-2-sulfonamide?
N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]thiophene-2-sulfonamide has a molecular weight of 390.49 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(oxolan-2-ylmethylamino)quinoxalin-2-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 663384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).