ethane;propane;3-sulfanylpyrrolidine-2,5-dione

C9H19NO2S — CID 144975396

IUPACethane;propane;3-sulfanylpyrrolidine-2,5-dione
SMILESCC.CCC.O=C1CC(S)C(=O)N1
InChIInChI=1S/C4H5NO2S.C3H8.C2H6/c6-3-1-2(8)4(7)5-3;1-3-2;1-2/h2,8H,1H2,(H,5,6,7);3H2,1-2H3;1-2H3
InChIKeyYXYNVLXUWRUGAL-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.77
Rot. Bonds

About ethane;propane;3-sulfanylpyrrolidine-2,5-dione

ethane;propane;3-sulfanylpyrrolidine-2,5-dione (PubChem CID 144975396) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is ethane;propane;3-sulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Nameethane;propane;3-sulfanylpyrrolidine-2,5-dione
PubChem CID144975396
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC Nameethane;propane;3-sulfanylpyrrolidine-2,5-dione
SMILESCC.CCC.O=C1CC(S)C(=O)N1
InChIInChI=1S/C4H5NO2S.C3H8.C2H6/c6-3-1-2(8)4(7)5-3;1-3-2;1-2/h2,8H,1H2,(H,5,6,7);3H2,1-2H3;1-2H3
InChIKeyYXYNVLXUWRUGAL-UHFFFAOYSA-N
XLogP1.77
TPSA46.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

ethane;3-methylpyrrolidine-2,5-dione;propane
CID 145077035
3-hexylpyrrolidine-2,5-dione;hydrochloride
CID 70281671
3-[2-(2,5-dioxopyrrolidin-3-yl)ethyl]pyrrolidine-2,5-dione
CID 154234423
3-(2-methylbutan-2-yl)pyrrolidine-2,5-dione
CID 118047902
(2,5-dioxopyrrolidin-3-yl) ethanesulfonate
CID 87067948
4-methyl-3-propylpiperazine-2,6-dione
CID 126984968
1-methyl-5-sulfanylimidazolidine-2,4-dione;propane
CID 174538671
(3R)-3-methylsulfanylpyrrolidine-2,5-dione
CID 130632888
(3S)-3-(methylamino)pyrrolidine-2,5-dione
CID 98340872
(3S)-3-(aminomethyl)pyrrolidine-2,5-dione
CID 28605219
3-[(1-ethylcyclopropyl)amino]pyrrolidine-2,5-dione
CID 130834825
3-[(2,5-dioxopyrrolidin-3-yl)disulfanyl]pyrrolidine-2,5-dione;propanoic acid
CID 87423107

Frequently Asked Questions

What is the IUPAC name of ethane;propane;3-sulfanylpyrrolidine-2,5-dione?
The IUPAC name of ethane;propane;3-sulfanylpyrrolidine-2,5-dione (CID 144975396) is ethane;propane;3-sulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for ethane;propane;3-sulfanylpyrrolidine-2,5-dione?
The canonical SMILES for ethane;propane;3-sulfanylpyrrolidine-2,5-dione is CC.CCC.O=C1CC(S)C(=O)N1.
What is the InChIKey of ethane;propane;3-sulfanylpyrrolidine-2,5-dione?
The InChIKey is YXYNVLXUWRUGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2S.C3H8.C2H6/c6-3-1-2(8)4(7)5-3;1-3-2;1-2/h2,8H,1H2,(H,5,6,7);3H2,1-2H3;1-2H3.
What are the key properties of ethane;propane;3-sulfanylpyrrolidine-2,5-dione?
ethane;propane;3-sulfanylpyrrolidine-2,5-dione has a molecular weight of 205.32 g/mol, XLogP of 1.77, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propane;3-sulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 144975396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).