N-(1,1-dioxothian-3-yl)quinoxalin-6-amine

C13H15N3O2S — CID 63923027

IUPACN-(1,1-dioxothian-3-yl)quinoxalin-6-amine
SMILESO=S1(=O)CCCC(Nc2ccc3nccnc3c2)C1
InChIInChI=1S/C13H15N3O2S/c17-19(18)7-1-2-11(9-19)16-10-3-4-12-13(8-10)15-6-5-14-12/h3-6,8,11,16H,1-2,7,9H2
InChIKeyILLGGKLQWIRWJY-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.62
Rot. Bonds2

About N-(1,1-dioxothian-3-yl)quinoxalin-6-amine

N-(1,1-dioxothian-3-yl)quinoxalin-6-amine (PubChem CID 63923027) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-(1,1-dioxothian-3-yl)quinoxalin-6-amine.

Molecular Properties

Compound NameN-(1,1-dioxothian-3-yl)quinoxalin-6-amine
PubChem CID63923027
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-(1,1-dioxothian-3-yl)quinoxalin-6-amine
SMILESO=S1(=O)CCCC(Nc2ccc3nccnc3c2)C1
InChIInChI=1S/C13H15N3O2S/c17-19(18)7-1-2-11(9-19)16-10-3-4-12-13(8-10)15-6-5-14-12/h3-6,8,11,16H,1-2,7,9H2
InChIKeyILLGGKLQWIRWJY-UHFFFAOYSA-N
XLogP1.62
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1,1-dioxothian-3-yl)amino]-2-fluorophenol
CID 64794825
N-(4-fluorophenyl)-1,1-dioxothian-3-amine
CID 63910257
4-[(1,1-dioxothian-3-yl)amino]pyridine-2-carboxamide
CID 63923173
N-[4-methyl-3-(trifluoromethyl)phenyl]-1,1-dioxothian-3-amine
CID 63924016
4-N-quinoxalin-6-ylcyclohexane-1,4-diamine
CID 79731132
1,1-dioxo-N-[4-(trifluoromethoxy)phenyl]thian-3-amine
CID 63909870
2-amino-5-[(1,1-dioxothian-3-yl)amino]benzamide
CID 63924747
N-(1,1-dioxothian-3-yl)-2,2-dimethyl-1,3-benzodioxol-5-amine
CID 63911451
4-[(1,1-dioxothian-3-yl)amino]-2-methylbenzoic acid
CID 81282203
5-[(1,1-dioxothian-3-yl)amino]-2-fluorobenzoic acid
CID 63922414
5-[(1,1-dioxothian-3-yl)amino]-2-fluorobenzonitrile
CID 63923237
4-[(1,1-dioxothian-3-yl)amino]benzenesulfonamide
CID 63908905

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothian-3-yl)quinoxalin-6-amine?
The IUPAC name of N-(1,1-dioxothian-3-yl)quinoxalin-6-amine (CID 63923027) is N-(1,1-dioxothian-3-yl)quinoxalin-6-amine.
What is the SMILES notation for N-(1,1-dioxothian-3-yl)quinoxalin-6-amine?
The canonical SMILES for N-(1,1-dioxothian-3-yl)quinoxalin-6-amine is O=S1(=O)CCCC(Nc2ccc3nccnc3c2)C1.
What is the InChIKey of N-(1,1-dioxothian-3-yl)quinoxalin-6-amine?
The InChIKey is ILLGGKLQWIRWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c17-19(18)7-1-2-11(9-19)16-10-3-4-12-13(8-10)15-6-5-14-12/h3-6,8,11,16H,1-2,7,9H2.
What are the key properties of N-(1,1-dioxothian-3-yl)quinoxalin-6-amine?
N-(1,1-dioxothian-3-yl)quinoxalin-6-amine has a molecular weight of 277.35 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothian-3-yl)quinoxalin-6-amine is sourced from PubChem (CID 63923027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).