1-[3-(3-methoxyphenyl)sulfanylthiophen-2-yl]-N,N-dimethylmethanamine

C14H17NOS2 — CID 3077474

IUPAC1-[3-(3-methoxyphenyl)sulfanylthiophen-2-yl]-N,N-dimethylmethanamine
SMILESCOc1cccc(Sc2ccsc2CN(C)C)c1
InChIInChI=1S/C14H17NOS2/c1-15(2)10-14-13(7-8-17-14)18-12-6-4-5-11(9-12)16-3/h4-9H,10H2,1-3H3
InChIKeyAJJKDWDXVPLKSV-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.97
Rot. Bonds5

About 1-[3-(3-methoxyphenyl)sulfanylthiophen-2-yl]-N,N-dimethylmethanamine

1-[3-(3-methoxyphenyl)sulfanylthiophen-2-yl]-N,N-dimethylmethanamine (PubChem CID 3077474) has the molecular formula C14H17NOS2 and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-[3-(3-methoxyphenyl)sulfanylthiophen-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[3-(3-methoxyphenyl)sulfanylthiophen-2-yl]-N,N-dimethylmethanamine
PubChem CID3077474
Molecular FormulaC14H17NOS2
Molecular Weight279.43 g/mol
Exact Mass279.08
IUPAC Name1-[3-(3-methoxyphenyl)sulfanylthiophen-2-yl]-N,N-dimethylmethanamine
SMILESCOc1cccc(Sc2ccsc2CN(C)C)c1
InChIInChI=1S/C14H17NOS2/c1-15(2)10-14-13(7-8-17-14)18-12-6-4-5-11(9-12)16-3/h4-9H,10H2,1-3H3
InChIKeyAJJKDWDXVPLKSV-UHFFFAOYSA-N
XLogP3.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methoxyphenyl)sulfanylthiophen-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[3-(3-methoxyphenyl)sulfanylthiophen-2-yl]-N,N-dimethylmethanamine (CID 3077474) is 1-[3-(3-methoxyphenyl)sulfanylthiophen-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[3-(3-methoxyphenyl)sulfanylthiophen-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[3-(3-methoxyphenyl)sulfanylthiophen-2-yl]-N,N-dimethylmethanamine is COc1cccc(Sc2ccsc2CN(C)C)c1.
What is the InChIKey of 1-[3-(3-methoxyphenyl)sulfanylthiophen-2-yl]-N,N-dimethylmethanamine?
The InChIKey is AJJKDWDXVPLKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS2/c1-15(2)10-14-13(7-8-17-14)18-12-6-4-5-11(9-12)16-3/h4-9H,10H2,1-3H3.
What are the key properties of 1-[3-(3-methoxyphenyl)sulfanylthiophen-2-yl]-N,N-dimethylmethanamine?
1-[3-(3-methoxyphenyl)sulfanylthiophen-2-yl]-N,N-dimethylmethanamine has a molecular weight of 279.43 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methoxyphenyl)sulfanylthiophen-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 3077474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).