5-butyl-1,3-di(propan-2-yl)thieno[3,4-c]pyrrole-4,6-dione

C16H23NO2S — CID 155653826

IUPAC5-butyl-1,3-di(propan-2-yl)thieno[3,4-c]pyrrole-4,6-dione
SMILESCCCCN1C(=O)c2c(C(C)C)sc(C(C)C)c2C1=O
InChIInChI=1S/C16H23NO2S/c1-6-7-8-17-15(18)11-12(16(17)19)14(10(4)5)20-13(11)9(2)3/h9-10H,6-8H2,1-5H3
InChIKeyLNOQCDWREURVRJ-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.39
Rot. Bonds5

About 5-butyl-1,3-di(propan-2-yl)thieno[3,4-c]pyrrole-4,6-dione

5-butyl-1,3-di(propan-2-yl)thieno[3,4-c]pyrrole-4,6-dione (PubChem CID 155653826) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is 5-butyl-1,3-di(propan-2-yl)thieno[3,4-c]pyrrole-4,6-dione.

Molecular Properties

Compound Name5-butyl-1,3-di(propan-2-yl)thieno[3,4-c]pyrrole-4,6-dione
PubChem CID155653826
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC Name5-butyl-1,3-di(propan-2-yl)thieno[3,4-c]pyrrole-4,6-dione
SMILESCCCCN1C(=O)c2c(C(C)C)sc(C(C)C)c2C1=O
InChIInChI=1S/C16H23NO2S/c1-6-7-8-17-15(18)11-12(16(17)19)14(10(4)5)20-13(11)9(2)3/h9-10H,6-8H2,1-5H3
InChIKeyLNOQCDWREURVRJ-UHFFFAOYSA-N
XLogP4.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6,13-dibutyl-2,3,9,10-tetrafluoro-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone
CID 171592082
5-butyl-1,3-diphenylthieno[3,4-c]pyrrole-4,6-dione
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1-[4,8-bis(3-ethylheptyl)-2-(2-methylbutan-2-yl)thieno[2,3-f][1]benzothiol-6-yl]-5-octyl-3-propan-2-ylthieno[3,4-c]pyrrole-4,6-dione
CID 123230443
5-butyl-2-ethylthieno[2,3-c]pyrrole-4,6-dione
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1-butyldiaziridin-3-one
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1-butylpyrrole-2,5-dione;silane
CID 160820729
7-butyl-18-methyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
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Frequently Asked Questions

What is the IUPAC name of 5-butyl-1,3-di(propan-2-yl)thieno[3,4-c]pyrrole-4,6-dione?
The IUPAC name of 5-butyl-1,3-di(propan-2-yl)thieno[3,4-c]pyrrole-4,6-dione (CID 155653826) is 5-butyl-1,3-di(propan-2-yl)thieno[3,4-c]pyrrole-4,6-dione.
What is the SMILES notation for 5-butyl-1,3-di(propan-2-yl)thieno[3,4-c]pyrrole-4,6-dione?
The canonical SMILES for 5-butyl-1,3-di(propan-2-yl)thieno[3,4-c]pyrrole-4,6-dione is CCCCN1C(=O)c2c(C(C)C)sc(C(C)C)c2C1=O.
What is the InChIKey of 5-butyl-1,3-di(propan-2-yl)thieno[3,4-c]pyrrole-4,6-dione?
The InChIKey is LNOQCDWREURVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-6-7-8-17-15(18)11-12(16(17)19)14(10(4)5)20-13(11)9(2)3/h9-10H,6-8H2,1-5H3.
What are the key properties of 5-butyl-1,3-di(propan-2-yl)thieno[3,4-c]pyrrole-4,6-dione?
5-butyl-1,3-di(propan-2-yl)thieno[3,4-c]pyrrole-4,6-dione has a molecular weight of 293.43 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1,3-di(propan-2-yl)thieno[3,4-c]pyrrole-4,6-dione is sourced from PubChem (CID 155653826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).