3-(3-cyclopentyl-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)azepane-2,7-dione

C17H20N2O3S — CID 134608334

IUPAC3-(3-cyclopentyl-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)azepane-2,7-dione
SMILESO=C1CCCC(N2Cc3c(csc3C3CCCC3)C2=O)C(=O)N1
InChIInChI=1S/C17H20N2O3S/c20-14-7-3-6-13(16(21)18-14)19-8-11-12(17(19)22)9-23-15(11)10-4-1-2-5-10/h9-10,13H,1-8H2,(H,18,20,21)
InChIKeyNIWBRZLANYUTBW-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.56
Rot. Bonds2

About 3-(3-cyclopentyl-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)azepane-2,7-dione

3-(3-cyclopentyl-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)azepane-2,7-dione (PubChem CID 134608334) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 3-(3-cyclopentyl-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)azepane-2,7-dione.

Molecular Properties

Compound Name3-(3-cyclopentyl-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)azepane-2,7-dione
PubChem CID134608334
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name3-(3-cyclopentyl-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)azepane-2,7-dione
SMILESO=C1CCCC(N2Cc3c(csc3C3CCCC3)C2=O)C(=O)N1
InChIInChI=1S/C17H20N2O3S/c20-14-7-3-6-13(16(21)18-14)19-8-11-12(17(19)22)9-23-15(11)10-4-1-2-5-10/h9-10,13H,1-8H2,(H,18,20,21)
InChIKeyNIWBRZLANYUTBW-UHFFFAOYSA-N
XLogP2.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(3-cyclopentyl-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)azepane-2,7-dione with MolForge

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Related Compounds

(3S)-3-(3-bromo-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)azepane-2,7-dione
CID 134608405
(4S)-4-(3-cyclopentyl-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)cycloheptane-1,3-dione
CID 147416337
3-(7-cyclopentyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 146601936
4-[[5-(2,7-dioxoazepan-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methoxy]benzaldehyde
CID 166681484
3-(7-cyclopentyl-5-fluoro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 146547459
3-(3-methyl-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)piperidine-2,6-dione
CID 156817498
N-[[5-(2,6-dioxopiperidin-3-yl)-6-oxo-4H-thieno[3,4-c]pyrrol-3-yl]methyl]acetamide
CID 155761911
3-[3-[(4-methylphenoxy)methyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione
CID 163269119
3-(3-oxo-6,7,8,9-tetrahydro-1H-pyrrolo[3,4-f]quinolin-2-yl)piperidine-2,6-dione
CID 166660984
5-[(3S)-2-oxoazepan-3-yl]-3-propan-2-yl-4H-thieno[3,4-c]pyrrol-6-one
CID 134608258
(3S)-3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 12044976
(3S)-3-(3-chloro-1-methyl-4-oxo-6H-thieno[3,4-c]pyrrol-5-yl)azepane-2,7-dione
CID 134608394

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentyl-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)azepane-2,7-dione?
The IUPAC name of 3-(3-cyclopentyl-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)azepane-2,7-dione (CID 134608334) is 3-(3-cyclopentyl-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)azepane-2,7-dione.
What is the SMILES notation for 3-(3-cyclopentyl-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)azepane-2,7-dione?
The canonical SMILES for 3-(3-cyclopentyl-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)azepane-2,7-dione is O=C1CCCC(N2Cc3c(csc3C3CCCC3)C2=O)C(=O)N1.
What is the InChIKey of 3-(3-cyclopentyl-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)azepane-2,7-dione?
The InChIKey is NIWBRZLANYUTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c20-14-7-3-6-13(16(21)18-14)19-8-11-12(17(19)22)9-23-15(11)10-4-1-2-5-10/h9-10,13H,1-8H2,(H,18,20,21).
What are the key properties of 3-(3-cyclopentyl-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)azepane-2,7-dione?
3-(3-cyclopentyl-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)azepane-2,7-dione has a molecular weight of 332.43 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentyl-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)azepane-2,7-dione is sourced from PubChem (CID 134608334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).