N-[2-(1,1-dioxo-1,4-thiazinan-2-yl)ethyl]-6,7-difluoroquinoxalin-2-amine

C14H16F2N4O2S — CID 167986969

IUPACN-[2-(1,1-dioxo-1,4-thiazinan-2-yl)ethyl]-6,7-difluoroquinoxalin-2-amine
SMILESO=S1(=O)CCNCC1CCNc1cnc2cc(F)c(F)cc2n1
InChIInChI=1S/C14H16F2N4O2S/c15-10-5-12-13(6-11(10)16)20-14(8-19-12)18-2-1-9-7-17-3-4-23(9,21)22/h5-6,8-9,17H,1-4,7H2,(H,18,20)
InChIKeySLGIQUCRCWBZNU-UHFFFAOYSA-N
MW342.37 g/mol
LogP1.10
Rot. Bonds4

About N-[2-(1,1-dioxo-1,4-thiazinan-2-yl)ethyl]-6,7-difluoroquinoxalin-2-amine

N-[2-(1,1-dioxo-1,4-thiazinan-2-yl)ethyl]-6,7-difluoroquinoxalin-2-amine (PubChem CID 167986969) has the molecular formula C14H16F2N4O2S and a molecular weight of 342.37 g/mol. Its IUPAC name is N-[2-(1,1-dioxo-1,4-thiazinan-2-yl)ethyl]-6,7-difluoroquinoxalin-2-amine.

Molecular Properties

Compound NameN-[2-(1,1-dioxo-1,4-thiazinan-2-yl)ethyl]-6,7-difluoroquinoxalin-2-amine
PubChem CID167986969
Molecular FormulaC14H16F2N4O2S
Molecular Weight342.37 g/mol
Exact Mass342.10
IUPAC NameN-[2-(1,1-dioxo-1,4-thiazinan-2-yl)ethyl]-6,7-difluoroquinoxalin-2-amine
SMILESO=S1(=O)CCNCC1CCNc1cnc2cc(F)c(F)cc2n1
InChIInChI=1S/C14H16F2N4O2S/c15-10-5-12-13(6-11(10)16)20-14(8-19-12)18-2-1-9-7-17-3-4-23(9,21)22/h5-6,8-9,17H,1-4,7H2,(H,18,20)
InChIKeySLGIQUCRCWBZNU-UHFFFAOYSA-N
XLogP1.10
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-dioxo-1,4-thiazinan-2-yl)ethyl]-6,7-difluoroquinoxalin-2-amine?
The IUPAC name of N-[2-(1,1-dioxo-1,4-thiazinan-2-yl)ethyl]-6,7-difluoroquinoxalin-2-amine (CID 167986969) is N-[2-(1,1-dioxo-1,4-thiazinan-2-yl)ethyl]-6,7-difluoroquinoxalin-2-amine.
What is the SMILES notation for N-[2-(1,1-dioxo-1,4-thiazinan-2-yl)ethyl]-6,7-difluoroquinoxalin-2-amine?
The canonical SMILES for N-[2-(1,1-dioxo-1,4-thiazinan-2-yl)ethyl]-6,7-difluoroquinoxalin-2-amine is O=S1(=O)CCNCC1CCNc1cnc2cc(F)c(F)cc2n1.
What is the InChIKey of N-[2-(1,1-dioxo-1,4-thiazinan-2-yl)ethyl]-6,7-difluoroquinoxalin-2-amine?
The InChIKey is SLGIQUCRCWBZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O2S/c15-10-5-12-13(6-11(10)16)20-14(8-19-12)18-2-1-9-7-17-3-4-23(9,21)22/h5-6,8-9,17H,1-4,7H2,(H,18,20).
What are the key properties of N-[2-(1,1-dioxo-1,4-thiazinan-2-yl)ethyl]-6,7-difluoroquinoxalin-2-amine?
N-[2-(1,1-dioxo-1,4-thiazinan-2-yl)ethyl]-6,7-difluoroquinoxalin-2-amine has a molecular weight of 342.37 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-dioxo-1,4-thiazinan-2-yl)ethyl]-6,7-difluoroquinoxalin-2-amine is sourced from PubChem (CID 167986969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).