ethane;1-pentyl-3-sulfanylpyrrolidine-2,5-dione

C11H21NO2S — CID 143784408

IUPACethane;1-pentyl-3-sulfanylpyrrolidine-2,5-dione
SMILESCC.CCCCCN1C(=O)CC(S)C1=O
InChIInChI=1S/C9H15NO2S.C2H6/c1-2-3-4-5-10-8(11)6-7(13)9(10)12;1-2/h7,13H,2-6H2,1H3;1-2H3
InChIKeyVXBNCJKFHCHQLM-UHFFFAOYSA-N
MW231.36 g/mol
LogP2.26
Rot. Bonds4

About ethane;1-pentyl-3-sulfanylpyrrolidine-2,5-dione

ethane;1-pentyl-3-sulfanylpyrrolidine-2,5-dione (PubChem CID 143784408) has the molecular formula C11H21NO2S and a molecular weight of 231.36 g/mol. Its IUPAC name is ethane;1-pentyl-3-sulfanylpyrrolidine-2,5-dione.

Molecular Properties

Compound Nameethane;1-pentyl-3-sulfanylpyrrolidine-2,5-dione
PubChem CID143784408
Molecular FormulaC11H21NO2S
Molecular Weight231.36 g/mol
Exact Mass231.13
IUPAC Nameethane;1-pentyl-3-sulfanylpyrrolidine-2,5-dione
SMILESCC.CCCCCN1C(=O)CC(S)C1=O
InChIInChI=1S/C9H15NO2S.C2H6/c1-2-3-4-5-10-8(11)6-7(13)9(10)12;1-2/h7,13H,2-6H2,1H3;1-2H3
InChIKeyVXBNCJKFHCHQLM-UHFFFAOYSA-N
XLogP2.26
TPSA37.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-pentyl-3-sulfanylpyrrolidine-2,5-dione
CID 143784409
1-[4-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)butyl]-3-methylpyrrolidine-2,5-dione
CID 89185151
1-(2-aminoethyl)-3-sulfanylpyrrolidine-2,5-dione;propane
CID 142329747
6-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)hexanal
CID 139380902
3-ethyl-1-nonylpyrrolidine-2,5-dione
CID 512846
ethane;1-heptyl-3-methylsulfanylpyrrolidine-2,5-dione
CID 142573296
1-butyl-3-methylpyrrolidine-2,5-dione
CID 15757781
(3S)-1-butyl-3-methylpyrrolidine-2,5-dione
CID 98085422
3-ethylsulfanyl-1-heptylpyrrolidine-2,5-dione
CID 142573295
1-octyl-3-(octylamino)pyrrolidine-2,5-dione
CID 512833
3-methyl-1-propylpyrrolidine-2,5-dione;nonane
CID 163913553
2-[2-[2-[2-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetamide
CID 71581754

Frequently Asked Questions

What is the IUPAC name of ethane;1-pentyl-3-sulfanylpyrrolidine-2,5-dione?
The IUPAC name of ethane;1-pentyl-3-sulfanylpyrrolidine-2,5-dione (CID 143784408) is ethane;1-pentyl-3-sulfanylpyrrolidine-2,5-dione.
What is the SMILES notation for ethane;1-pentyl-3-sulfanylpyrrolidine-2,5-dione?
The canonical SMILES for ethane;1-pentyl-3-sulfanylpyrrolidine-2,5-dione is CC.CCCCCN1C(=O)CC(S)C1=O.
What is the InChIKey of ethane;1-pentyl-3-sulfanylpyrrolidine-2,5-dione?
The InChIKey is VXBNCJKFHCHQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S.C2H6/c1-2-3-4-5-10-8(11)6-7(13)9(10)12;1-2/h7,13H,2-6H2,1H3;1-2H3.
What are the key properties of ethane;1-pentyl-3-sulfanylpyrrolidine-2,5-dione?
ethane;1-pentyl-3-sulfanylpyrrolidine-2,5-dione has a molecular weight of 231.36 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-pentyl-3-sulfanylpyrrolidine-2,5-dione is sourced from PubChem (CID 143784408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).