(3R)-3-[3-(dimethylamino)-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]-3-methylpiperidine-2,6-dione

C14H17N3O3S — CID 66751776

IUPAC(3R)-3-[3-(dimethylamino)-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]-3-methylpiperidine-2,6-dione
SMILESCN(C)c1scc2c1CN([C@]1(C)CCC(=O)NC1=O)C2=O
InChIInChI=1S/C14H17N3O3S/c1-14(5-4-10(18)15-13(14)20)17-6-8-9(11(17)19)7-21-12(8)16(2)3/h7H,4-6H2,1-3H3,(H,15,18,20)/t14-/m1/s1
InChIKeyCJFSILHVSADZDR-CQSZACIVSA-N
MW307.38 g/mol
LogP0.97
Rot. Bonds2

About (3R)-3-[3-(dimethylamino)-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]-3-methylpiperidine-2,6-dione

(3R)-3-[3-(dimethylamino)-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]-3-methylpiperidine-2,6-dione (PubChem CID 66751776) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is (3R)-3-[3-(dimethylamino)-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]-3-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name(3R)-3-[3-(dimethylamino)-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]-3-methylpiperidine-2,6-dione
PubChem CID66751776
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name(3R)-3-[3-(dimethylamino)-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]-3-methylpiperidine-2,6-dione
SMILESCN(C)c1scc2c1CN([C@]1(C)CCC(=O)NC1=O)C2=O
InChIInChI=1S/C14H17N3O3S/c1-14(5-4-10(18)15-13(14)20)17-6-8-9(11(17)19)7-21-12(8)16(2)3/h7H,4-6H2,1-3H3,(H,15,18,20)/t14-/m1/s1
InChIKeyCJFSILHVSADZDR-CQSZACIVSA-N
XLogP0.97
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[3-(dimethylamino)-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]-3-methylpiperidine-2,6-dione?
The IUPAC name of (3R)-3-[3-(dimethylamino)-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]-3-methylpiperidine-2,6-dione (CID 66751776) is (3R)-3-[3-(dimethylamino)-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]-3-methylpiperidine-2,6-dione.
What is the SMILES notation for (3R)-3-[3-(dimethylamino)-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]-3-methylpiperidine-2,6-dione?
The canonical SMILES for (3R)-3-[3-(dimethylamino)-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]-3-methylpiperidine-2,6-dione is CN(C)c1scc2c1CN([C@]1(C)CCC(=O)NC1=O)C2=O.
What is the InChIKey of (3R)-3-[3-(dimethylamino)-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]-3-methylpiperidine-2,6-dione?
The InChIKey is CJFSILHVSADZDR-CQSZACIVSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-14(5-4-10(18)15-13(14)20)17-6-8-9(11(17)19)7-21-12(8)16(2)3/h7H,4-6H2,1-3H3,(H,15,18,20)/t14-/m1/s1.
What are the key properties of (3R)-3-[3-(dimethylamino)-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]-3-methylpiperidine-2,6-dione?
(3R)-3-[3-(dimethylamino)-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]-3-methylpiperidine-2,6-dione has a molecular weight of 307.38 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[3-(dimethylamino)-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]-3-methylpiperidine-2,6-dione is sourced from PubChem (CID 66751776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).