1-(1,4-diazepan-1-ylsulfonyl)-4-methyl-2,3-dihydroquinoxaline

C14H22N4O2S — CID 63778567

IUPAC1-(1,4-diazepan-1-ylsulfonyl)-4-methyl-2,3-dihydroquinoxaline
SMILESCN1CCN(S(=O)(=O)N2CCCNCC2)c2ccccc21
InChIInChI=1S/C14H22N4O2S/c1-16-11-12-18(14-6-3-2-5-13(14)16)21(19,20)17-9-4-7-15-8-10-17/h2-3,5-6,15H,4,7-12H2,1H3
InChIKeyUMZKDOCLRFFAPC-UHFFFAOYSA-N
MW310.42 g/mol
LogP0.48
Rot. Bonds2

About 1-(1,4-diazepan-1-ylsulfonyl)-4-methyl-2,3-dihydroquinoxaline

1-(1,4-diazepan-1-ylsulfonyl)-4-methyl-2,3-dihydroquinoxaline (PubChem CID 63778567) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-(1,4-diazepan-1-ylsulfonyl)-4-methyl-2,3-dihydroquinoxaline.

Molecular Properties

Compound Name1-(1,4-diazepan-1-ylsulfonyl)-4-methyl-2,3-dihydroquinoxaline
PubChem CID63778567
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name1-(1,4-diazepan-1-ylsulfonyl)-4-methyl-2,3-dihydroquinoxaline
SMILESCN1CCN(S(=O)(=O)N2CCCNCC2)c2ccccc21
InChIInChI=1S/C14H22N4O2S/c1-16-11-12-18(14-6-3-2-5-13(14)16)21(19,20)17-9-4-7-15-8-10-17/h2-3,5-6,15H,4,7-12H2,1H3
InChIKeyUMZKDOCLRFFAPC-UHFFFAOYSA-N
XLogP0.48
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-diazepan-1-ylsulfonyl)-4-methyl-2,3-dihydroquinoxaline?
The IUPAC name of 1-(1,4-diazepan-1-ylsulfonyl)-4-methyl-2,3-dihydroquinoxaline (CID 63778567) is 1-(1,4-diazepan-1-ylsulfonyl)-4-methyl-2,3-dihydroquinoxaline.
What is the SMILES notation for 1-(1,4-diazepan-1-ylsulfonyl)-4-methyl-2,3-dihydroquinoxaline?
The canonical SMILES for 1-(1,4-diazepan-1-ylsulfonyl)-4-methyl-2,3-dihydroquinoxaline is CN1CCN(S(=O)(=O)N2CCCNCC2)c2ccccc21.
What is the InChIKey of 1-(1,4-diazepan-1-ylsulfonyl)-4-methyl-2,3-dihydroquinoxaline?
The InChIKey is UMZKDOCLRFFAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2S/c1-16-11-12-18(14-6-3-2-5-13(14)16)21(19,20)17-9-4-7-15-8-10-17/h2-3,5-6,15H,4,7-12H2,1H3.
What are the key properties of 1-(1,4-diazepan-1-ylsulfonyl)-4-methyl-2,3-dihydroquinoxaline?
1-(1,4-diazepan-1-ylsulfonyl)-4-methyl-2,3-dihydroquinoxaline has a molecular weight of 310.42 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-diazepan-1-ylsulfonyl)-4-methyl-2,3-dihydroquinoxaline is sourced from PubChem (CID 63778567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).