(3-amino-3-oxopropyl) thiohypofluorite;ethane

C5H12FNOS — CID 142920454

IUPAC(3-amino-3-oxopropyl) thiohypofluorite;ethane
SMILESCC.NC(=O)CCSF
InChIInChI=1S/C3H6FNOS.C2H6/c4-7-2-1-3(5)6;1-2/h1-2H2,(H2,5,6);1-2H3
InChIKeyQENDHHASZMRWDA-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.51
Rot. Bonds3

About (3-amino-3-oxopropyl) thiohypofluorite;ethane

(3-amino-3-oxopropyl) thiohypofluorite;ethane (PubChem CID 142920454) has the molecular formula C5H12FNOS and a molecular weight of 153.22 g/mol. Its IUPAC name is (3-amino-3-oxopropyl) thiohypofluorite;ethane.

Molecular Properties

Compound Name(3-amino-3-oxopropyl) thiohypofluorite;ethane
PubChem CID142920454
Molecular FormulaC5H12FNOS
Molecular Weight153.22 g/mol
Exact Mass153.06
IUPAC Name(3-amino-3-oxopropyl) thiohypofluorite;ethane
SMILESCC.NC(=O)CCSF
InChIInChI=1S/C3H6FNOS.C2H6/c4-7-2-1-3(5)6;1-2/h1-2H2,(H2,5,6);1-2H3
InChIKeyQENDHHASZMRWDA-UHFFFAOYSA-N
XLogP1.51
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-amino-3-oxopropyl) thiohypofluorite;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butanediamide;ethane;molecular hydrogen
CID 144732954
butanamide
CID 141414886
3-tert-butylsulfanylpropanamide
CID 21060365
3-octadecylsulfanylpropanamide
CID 21260142
butanamide;dihydrobromide
CID 140988378
CID 158833027
CID 158833027
bis(butanediamide);sulfur dioxide
CID 175182532
3-(methylaminodisulfanyl)propanamide
CID 138457429
potassium;butanamide;hydride
CID 174374590
butanediamide;molybdenum
CID 161333962
butanediamide;hydrobromide
CID 158484059
3-(2-amino-2-methylpropyl)sulfanylpropanamide
CID 66229715

Frequently Asked Questions

What is the IUPAC name of (3-amino-3-oxopropyl) thiohypofluorite;ethane?
The IUPAC name of (3-amino-3-oxopropyl) thiohypofluorite;ethane (CID 142920454) is (3-amino-3-oxopropyl) thiohypofluorite;ethane.
What is the SMILES notation for (3-amino-3-oxopropyl) thiohypofluorite;ethane?
The canonical SMILES for (3-amino-3-oxopropyl) thiohypofluorite;ethane is CC.NC(=O)CCSF.
What is the InChIKey of (3-amino-3-oxopropyl) thiohypofluorite;ethane?
The InChIKey is QENDHHASZMRWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6FNOS.C2H6/c4-7-2-1-3(5)6;1-2/h1-2H2,(H2,5,6);1-2H3.
What are the key properties of (3-amino-3-oxopropyl) thiohypofluorite;ethane?
(3-amino-3-oxopropyl) thiohypofluorite;ethane has a molecular weight of 153.22 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-3-oxopropyl) thiohypofluorite;ethane is sourced from PubChem (CID 142920454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).