[3-[(3-amino-3-oxopropyl)carbamoyl]-1,2-dihydropyridin-6-yl] thiohypofluorite

C9H12FN3O2S — CID 145023162

IUPAC[3-[(3-amino-3-oxopropyl)carbamoyl]-1,2-dihydropyridin-6-yl] thiohypofluorite
SMILESNC(=O)CCNC(=O)C1=CC=C(SF)NC1
InChIInChI=1S/C9H12FN3O2S/c10-16-8-2-1-6(5-13-8)9(15)12-4-3-7(11)14/h1-2,13H,3-5H2,(H2,11,14)(H,12,15)
InChIKeyFKJRDSUPETWMDI-UHFFFAOYSA-N
MW245.28 g/mol
LogP-0.03
Rot. Bonds5

About [3-[(3-amino-3-oxopropyl)carbamoyl]-1,2-dihydropyridin-6-yl] thiohypofluorite

[3-[(3-amino-3-oxopropyl)carbamoyl]-1,2-dihydropyridin-6-yl] thiohypofluorite (PubChem CID 145023162) has the molecular formula C9H12FN3O2S and a molecular weight of 245.28 g/mol. Its IUPAC name is [3-[(3-amino-3-oxopropyl)carbamoyl]-1,2-dihydropyridin-6-yl] thiohypofluorite.

Molecular Properties

Compound Name[3-[(3-amino-3-oxopropyl)carbamoyl]-1,2-dihydropyridin-6-yl] thiohypofluorite
PubChem CID145023162
Molecular FormulaC9H12FN3O2S
Molecular Weight245.28 g/mol
Exact Mass245.06
IUPAC Name[3-[(3-amino-3-oxopropyl)carbamoyl]-1,2-dihydropyridin-6-yl] thiohypofluorite
SMILESNC(=O)CCNC(=O)C1=CC=C(SF)NC1
InChIInChI=1S/C9H12FN3O2S/c10-16-8-2-1-6(5-13-8)9(15)12-4-3-7(11)14/h1-2,13H,3-5H2,(H2,11,14)(H,12,15)
InChIKeyFKJRDSUPETWMDI-UHFFFAOYSA-N
XLogP-0.03
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(3-amino-3-oxopropyl)carbamoyl]-1,2-dihydropyridin-6-yl] thiohypofluorite?
The IUPAC name of [3-[(3-amino-3-oxopropyl)carbamoyl]-1,2-dihydropyridin-6-yl] thiohypofluorite (CID 145023162) is [3-[(3-amino-3-oxopropyl)carbamoyl]-1,2-dihydropyridin-6-yl] thiohypofluorite.
What is the SMILES notation for [3-[(3-amino-3-oxopropyl)carbamoyl]-1,2-dihydropyridin-6-yl] thiohypofluorite?
The canonical SMILES for [3-[(3-amino-3-oxopropyl)carbamoyl]-1,2-dihydropyridin-6-yl] thiohypofluorite is NC(=O)CCNC(=O)C1=CC=C(SF)NC1.
What is the InChIKey of [3-[(3-amino-3-oxopropyl)carbamoyl]-1,2-dihydropyridin-6-yl] thiohypofluorite?
The InChIKey is FKJRDSUPETWMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O2S/c10-16-8-2-1-6(5-13-8)9(15)12-4-3-7(11)14/h1-2,13H,3-5H2,(H2,11,14)(H,12,15).
What are the key properties of [3-[(3-amino-3-oxopropyl)carbamoyl]-1,2-dihydropyridin-6-yl] thiohypofluorite?
[3-[(3-amino-3-oxopropyl)carbamoyl]-1,2-dihydropyridin-6-yl] thiohypofluorite has a molecular weight of 245.28 g/mol, XLogP of -0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-amino-3-oxopropyl)carbamoyl]-1,2-dihydropyridin-6-yl] thiohypofluorite is sourced from PubChem (CID 145023162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).