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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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).