6,7-dimethoxy-2-[4-(sulfamoylamino)piperidin-1-yl]quinoxaline

C15H21N5O4S — CID 167288482

IUPAC6,7-dimethoxy-2-[4-(sulfamoylamino)piperidin-1-yl]quinoxaline
SMILESCOc1cc2ncc(N3CCC(NS(N)(=O)=O)CC3)nc2cc1OC
InChIInChI=1S/C15H21N5O4S/c1-23-13-7-11-12(8-14(13)24-2)18-15(9-17-11)20-5-3-10(4-6-20)19-25(16,21)22/h7-10,19H,3-6H2,1-2H3,(H2,16,21,22)
InChIKeyKLVHRGZDAYGVFI-UHFFFAOYSA-N
MW367.43 g/mol
LogP0.41
Rot. Bonds5

About 6,7-dimethoxy-2-[4-(sulfamoylamino)piperidin-1-yl]quinoxaline

6,7-dimethoxy-2-[4-(sulfamoylamino)piperidin-1-yl]quinoxaline (PubChem CID 167288482) has the molecular formula C15H21N5O4S and a molecular weight of 367.43 g/mol. Its IUPAC name is 6,7-dimethoxy-2-[4-(sulfamoylamino)piperidin-1-yl]quinoxaline.

Molecular Properties

Compound Name6,7-dimethoxy-2-[4-(sulfamoylamino)piperidin-1-yl]quinoxaline
PubChem CID167288482
Molecular FormulaC15H21N5O4S
Molecular Weight367.43 g/mol
Exact Mass367.13
IUPAC Name6,7-dimethoxy-2-[4-(sulfamoylamino)piperidin-1-yl]quinoxaline
SMILESCOc1cc2ncc(N3CCC(NS(N)(=O)=O)CC3)nc2cc1OC
InChIInChI=1S/C15H21N5O4S/c1-23-13-7-11-12(8-14(13)24-2)18-15(9-17-11)20-5-3-10(4-6-20)19-25(16,21)22/h7-10,19H,3-6H2,1-2H3,(H2,16,21,22)
InChIKeyKLVHRGZDAYGVFI-UHFFFAOYSA-N
XLogP0.41
TPSA119.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-methoxyphenyl)-6-[4-(sulfamoylamino)piperidin-1-yl]pyrimidine
CID 167966554
N-cyclopentyl-6,7-dimethoxyquinoxalin-2-amine
CID 22573167
butyl N-[[1-(6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]sulfamoyl]carbamate
CID 175688776
1-(7-bromoquinoxalin-2-yl)-N-(2-methylsulfonylethyl)piperidin-4-amine
CID 68504194
N,N-diethyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinoxaline-6-sulfonamide
CID 50840508
2-[1-(3,6,7-trimethoxyquinolin-4-yl)piperidin-4-yl]ethyl sulfamate
CID 175341820
7-(4-fluoro-2-methoxyphenyl)-2-piperidin-1-ylquinoxaline
CID 174665552
6,7-dimethoxy-4-[4-[methyl(sulfamoyl)amino]piperidin-1-yl]quinazoline
CID 167049154
3-(3,4-dimethoxyphenyl)-2,6-dimethyl-8-[(3R)-3-(sulfamoylamino)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine
CID 135217251
2-[1-(3-fluoro-6,7-dimethoxyquinolin-4-yl)piperidin-4-yl]ethyl sulfamate
CID 175341918
ethyl 4-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]piperidine-1-carboxylate
CID 35308238
N-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-3,4-dimethoxybenzenesulfonamide
CID 171682723

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-[4-(sulfamoylamino)piperidin-1-yl]quinoxaline?
The IUPAC name of 6,7-dimethoxy-2-[4-(sulfamoylamino)piperidin-1-yl]quinoxaline (CID 167288482) is 6,7-dimethoxy-2-[4-(sulfamoylamino)piperidin-1-yl]quinoxaline.
What is the SMILES notation for 6,7-dimethoxy-2-[4-(sulfamoylamino)piperidin-1-yl]quinoxaline?
The canonical SMILES for 6,7-dimethoxy-2-[4-(sulfamoylamino)piperidin-1-yl]quinoxaline is COc1cc2ncc(N3CCC(NS(N)(=O)=O)CC3)nc2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-[4-(sulfamoylamino)piperidin-1-yl]quinoxaline?
The InChIKey is KLVHRGZDAYGVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O4S/c1-23-13-7-11-12(8-14(13)24-2)18-15(9-17-11)20-5-3-10(4-6-20)19-25(16,21)22/h7-10,19H,3-6H2,1-2H3,(H2,16,21,22).
What are the key properties of 6,7-dimethoxy-2-[4-(sulfamoylamino)piperidin-1-yl]quinoxaline?
6,7-dimethoxy-2-[4-(sulfamoylamino)piperidin-1-yl]quinoxaline has a molecular weight of 367.43 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-[4-(sulfamoylamino)piperidin-1-yl]quinoxaline is sourced from PubChem (CID 167288482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).