N-(1,1-dioxothietan-3-yl)-6-fluoropyrazin-2-amine

C7H8FN3O2S — CID 164646877

IUPACN-(1,1-dioxothietan-3-yl)-6-fluoropyrazin-2-amine
SMILESO=S1(=O)CC(Nc2cncc(F)n2)C1
InChIInChI=1S/C7H8FN3O2S/c8-6-1-9-2-7(11-6)10-5-3-14(12,13)4-5/h1-2,5H,3-4H2,(H,10,11)
InChIKeyHAXQWJBUIHGTCM-UHFFFAOYSA-N
MW217.22 g/mol
LogP-0.18
Rot. Bonds2

About N-(1,1-dioxothietan-3-yl)-6-fluoropyrazin-2-amine

N-(1,1-dioxothietan-3-yl)-6-fluoropyrazin-2-amine (PubChem CID 164646877) has the molecular formula C7H8FN3O2S and a molecular weight of 217.22 g/mol. Its IUPAC name is N-(1,1-dioxothietan-3-yl)-6-fluoropyrazin-2-amine.

Molecular Properties

Compound NameN-(1,1-dioxothietan-3-yl)-6-fluoropyrazin-2-amine
PubChem CID164646877
Molecular FormulaC7H8FN3O2S
Molecular Weight217.22 g/mol
Exact Mass217.03
IUPAC NameN-(1,1-dioxothietan-3-yl)-6-fluoropyrazin-2-amine
SMILESO=S1(=O)CC(Nc2cncc(F)n2)C1
InChIInChI=1S/C7H8FN3O2S/c8-6-1-9-2-7(11-6)10-5-3-14(12,13)4-5/h1-2,5H,3-4H2,(H,10,11)
InChIKeyHAXQWJBUIHGTCM-UHFFFAOYSA-N
XLogP-0.18
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothietan-3-yl)-6-fluoropyrazin-2-amine?
The IUPAC name of N-(1,1-dioxothietan-3-yl)-6-fluoropyrazin-2-amine (CID 164646877) is N-(1,1-dioxothietan-3-yl)-6-fluoropyrazin-2-amine.
What is the SMILES notation for N-(1,1-dioxothietan-3-yl)-6-fluoropyrazin-2-amine?
The canonical SMILES for N-(1,1-dioxothietan-3-yl)-6-fluoropyrazin-2-amine is O=S1(=O)CC(Nc2cncc(F)n2)C1.
What is the InChIKey of N-(1,1-dioxothietan-3-yl)-6-fluoropyrazin-2-amine?
The InChIKey is HAXQWJBUIHGTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN3O2S/c8-6-1-9-2-7(11-6)10-5-3-14(12,13)4-5/h1-2,5H,3-4H2,(H,10,11).
What are the key properties of N-(1,1-dioxothietan-3-yl)-6-fluoropyrazin-2-amine?
N-(1,1-dioxothietan-3-yl)-6-fluoropyrazin-2-amine has a molecular weight of 217.22 g/mol, XLogP of -0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothietan-3-yl)-6-fluoropyrazin-2-amine is sourced from PubChem (CID 164646877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).