2-(dimethylamino)-1-[2-[4-(dimethylamino)piperidine-1-carbonyl]-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]ethanone

C18H28N4O2S — CID 97407178

IUPAC2-(dimethylamino)-1-[2-[4-(dimethylamino)piperidine-1-carbonyl]-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]ethanone
SMILESCN(C)CC(=O)N1CCc2sc(C(=O)N3CCC(N(C)C)CC3)cc21
InChIInChI=1S/C18H28N4O2S/c1-19(2)12-17(23)22-10-7-15-14(22)11-16(25-15)18(24)21-8-5-13(6-9-21)20(3)4/h11,13H,5-10,12H2,1-4H3
InChIKeyRACZQHNAGDPQBS-UHFFFAOYSA-N
MW364.52 g/mol
LogP1.37
Rot. Bonds4

About 2-(dimethylamino)-1-[2-[4-(dimethylamino)piperidine-1-carbonyl]-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]ethanone

2-(dimethylamino)-1-[2-[4-(dimethylamino)piperidine-1-carbonyl]-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]ethanone (PubChem CID 97407178) has the molecular formula C18H28N4O2S and a molecular weight of 364.52 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[2-[4-(dimethylamino)piperidine-1-carbonyl]-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[2-[4-(dimethylamino)piperidine-1-carbonyl]-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]ethanone
PubChem CID97407178
Molecular FormulaC18H28N4O2S
Molecular Weight364.52 g/mol
Exact Mass364.19
IUPAC Name2-(dimethylamino)-1-[2-[4-(dimethylamino)piperidine-1-carbonyl]-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]ethanone
SMILESCN(C)CC(=O)N1CCc2sc(C(=O)N3CCC(N(C)C)CC3)cc21
InChIInChI=1S/C18H28N4O2S/c1-19(2)12-17(23)22-10-7-15-14(22)11-16(25-15)18(24)21-8-5-13(6-9-21)20(3)4/h11,13H,5-10,12H2,1-4H3
InChIKeyRACZQHNAGDPQBS-UHFFFAOYSA-N
XLogP1.37
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[2-[4-(dimethylamino)piperidine-1-carbonyl]-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]ethanone?
The IUPAC name of 2-(dimethylamino)-1-[2-[4-(dimethylamino)piperidine-1-carbonyl]-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]ethanone (CID 97407178) is 2-(dimethylamino)-1-[2-[4-(dimethylamino)piperidine-1-carbonyl]-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[2-[4-(dimethylamino)piperidine-1-carbonyl]-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[2-[4-(dimethylamino)piperidine-1-carbonyl]-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]ethanone is CN(C)CC(=O)N1CCc2sc(C(=O)N3CCC(N(C)C)CC3)cc21.
What is the InChIKey of 2-(dimethylamino)-1-[2-[4-(dimethylamino)piperidine-1-carbonyl]-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]ethanone?
The InChIKey is RACZQHNAGDPQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2S/c1-19(2)12-17(23)22-10-7-15-14(22)11-16(25-15)18(24)21-8-5-13(6-9-21)20(3)4/h11,13H,5-10,12H2,1-4H3.
What are the key properties of 2-(dimethylamino)-1-[2-[4-(dimethylamino)piperidine-1-carbonyl]-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]ethanone?
2-(dimethylamino)-1-[2-[4-(dimethylamino)piperidine-1-carbonyl]-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]ethanone has a molecular weight of 364.52 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[2-[4-(dimethylamino)piperidine-1-carbonyl]-5,6-dihydrothieno[3,2-b]pyrrol-4-yl]ethanone is sourced from PubChem (CID 97407178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).