[2-[6-(dimethylamino)hexoxy]-6-methyl-3-pyridinyl]-thiophen-2-ylmethanone

C19H26N2O2S — CID 15135670

IUPAC[2-[6-(dimethylamino)hexoxy]-6-methyl-3-pyridinyl]-thiophen-2-ylmethanone
SMILESCc1ccc(C(=O)c2cccs2)c(OCCCCCCN(C)C)n1
InChIInChI=1S/C19H26N2O2S/c1-15-10-11-16(18(22)17-9-8-14-24-17)19(20-15)23-13-7-5-4-6-12-21(2)3/h8-11,14H,4-7,12-13H2,1-3H3
InChIKeyQPQJOQTVPRRWTR-UHFFFAOYSA-N
MW346.50 g/mol
LogP4.18
Rot. Bonds10

About [2-[6-(dimethylamino)hexoxy]-6-methyl-3-pyridinyl]-thiophen-2-ylmethanone

[2-[6-(dimethylamino)hexoxy]-6-methyl-3-pyridinyl]-thiophen-2-ylmethanone (PubChem CID 15135670) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is [2-[6-(dimethylamino)hexoxy]-6-methyl-3-pyridinyl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[2-[6-(dimethylamino)hexoxy]-6-methyl-3-pyridinyl]-thiophen-2-ylmethanone
PubChem CID15135670
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC Name[2-[6-(dimethylamino)hexoxy]-6-methyl-3-pyridinyl]-thiophen-2-ylmethanone
SMILESCc1ccc(C(=O)c2cccs2)c(OCCCCCCN(C)C)n1
InChIInChI=1S/C19H26N2O2S/c1-15-10-11-16(18(22)17-9-8-14-24-17)19(20-15)23-13-7-5-4-6-12-21(2)3/h8-11,14H,4-7,12-13H2,1-3H3
InChIKeyQPQJOQTVPRRWTR-UHFFFAOYSA-N
XLogP4.18
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[6-(dimethylamino)hexoxy]-6-methyl-3-pyridinyl]-thiophen-2-ylmethanone?
The IUPAC name of [2-[6-(dimethylamino)hexoxy]-6-methyl-3-pyridinyl]-thiophen-2-ylmethanone (CID 15135670) is [2-[6-(dimethylamino)hexoxy]-6-methyl-3-pyridinyl]-thiophen-2-ylmethanone.
What is the SMILES notation for [2-[6-(dimethylamino)hexoxy]-6-methyl-3-pyridinyl]-thiophen-2-ylmethanone?
The canonical SMILES for [2-[6-(dimethylamino)hexoxy]-6-methyl-3-pyridinyl]-thiophen-2-ylmethanone is Cc1ccc(C(=O)c2cccs2)c(OCCCCCCN(C)C)n1.
What is the InChIKey of [2-[6-(dimethylamino)hexoxy]-6-methyl-3-pyridinyl]-thiophen-2-ylmethanone?
The InChIKey is QPQJOQTVPRRWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-15-10-11-16(18(22)17-9-8-14-24-17)19(20-15)23-13-7-5-4-6-12-21(2)3/h8-11,14H,4-7,12-13H2,1-3H3.
What are the key properties of [2-[6-(dimethylamino)hexoxy]-6-methyl-3-pyridinyl]-thiophen-2-ylmethanone?
[2-[6-(dimethylamino)hexoxy]-6-methyl-3-pyridinyl]-thiophen-2-ylmethanone has a molecular weight of 346.50 g/mol, XLogP of 4.18, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(dimethylamino)hexoxy]-6-methyl-3-pyridinyl]-thiophen-2-ylmethanone is sourced from PubChem (CID 15135670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).