1-[3-[6-[2-[(dimethylamino)methyl]thiophen-3-yl]oxyhexoxy]thiophen-2-yl]-N,N-dimethylmethanamine

C20H32N2O2S2 — CID 10872976

IUPAC1-[3-[6-[2-[(dimethylamino)methyl]thiophen-3-yl]oxyhexoxy]thiophen-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1sccc1OCCCCCCOc1ccsc1CN(C)C
InChIInChI=1S/C20H32N2O2S2/c1-21(2)15-19-17(9-13-25-19)23-11-7-5-6-8-12-24-18-10-14-26-20(18)16-22(3)4/h9-10,13-14H,5-8,11-12,15-16H2,1-4H3
InChIKeyVFCPLMZPEQELEV-UHFFFAOYSA-N
MW396.62 g/mol
LogP4.95
Rot. Bonds13

About 1-[3-[6-[2-[(dimethylamino)methyl]thiophen-3-yl]oxyhexoxy]thiophen-2-yl]-N,N-dimethylmethanamine

1-[3-[6-[2-[(dimethylamino)methyl]thiophen-3-yl]oxyhexoxy]thiophen-2-yl]-N,N-dimethylmethanamine (PubChem CID 10872976) has the molecular formula C20H32N2O2S2 and a molecular weight of 396.62 g/mol. Its IUPAC name is 1-[3-[6-[2-[(dimethylamino)methyl]thiophen-3-yl]oxyhexoxy]thiophen-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[3-[6-[2-[(dimethylamino)methyl]thiophen-3-yl]oxyhexoxy]thiophen-2-yl]-N,N-dimethylmethanamine
PubChem CID10872976
Molecular FormulaC20H32N2O2S2
Molecular Weight396.62 g/mol
Exact Mass396.19
IUPAC Name1-[3-[6-[2-[(dimethylamino)methyl]thiophen-3-yl]oxyhexoxy]thiophen-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1sccc1OCCCCCCOc1ccsc1CN(C)C
InChIInChI=1S/C20H32N2O2S2/c1-21(2)15-19-17(9-13-25-19)23-11-7-5-6-8-12-24-18-10-14-26-20(18)16-22(3)4/h9-10,13-14H,5-8,11-12,15-16H2,1-4H3
InChIKeyVFCPLMZPEQELEV-UHFFFAOYSA-N
XLogP4.95
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.62
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 1-[3-[6-[2-[(dimethylamino)methyl]thiophen-3-yl]oxyhexoxy]thiophen-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[3-[6-[2-[(dimethylamino)methyl]thiophen-3-yl]oxyhexoxy]thiophen-2-yl]-N,N-dimethylmethanamine (CID 10872976) is 1-[3-[6-[2-[(dimethylamino)methyl]thiophen-3-yl]oxyhexoxy]thiophen-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[3-[6-[2-[(dimethylamino)methyl]thiophen-3-yl]oxyhexoxy]thiophen-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[3-[6-[2-[(dimethylamino)methyl]thiophen-3-yl]oxyhexoxy]thiophen-2-yl]-N,N-dimethylmethanamine is CN(C)Cc1sccc1OCCCCCCOc1ccsc1CN(C)C.
What is the InChIKey of 1-[3-[6-[2-[(dimethylamino)methyl]thiophen-3-yl]oxyhexoxy]thiophen-2-yl]-N,N-dimethylmethanamine?
The InChIKey is VFCPLMZPEQELEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2S2/c1-21(2)15-19-17(9-13-25-19)23-11-7-5-6-8-12-24-18-10-14-26-20(18)16-22(3)4/h9-10,13-14H,5-8,11-12,15-16H2,1-4H3.
What are the key properties of 1-[3-[6-[2-[(dimethylamino)methyl]thiophen-3-yl]oxyhexoxy]thiophen-2-yl]-N,N-dimethylmethanamine?
1-[3-[6-[2-[(dimethylamino)methyl]thiophen-3-yl]oxyhexoxy]thiophen-2-yl]-N,N-dimethylmethanamine has a molecular weight of 396.62 g/mol, XLogP of 4.95, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-[2-[(dimethylamino)methyl]thiophen-3-yl]oxyhexoxy]thiophen-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 10872976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).