1-[4-(3-methoxyphenyl)sulfanylthiophen-3-yl]-N,N-dimethylmethanamine;hydrochloride

C14H18ClNOS2 — CID 3077477

IUPAC1-[4-(3-methoxyphenyl)sulfanylthiophen-3-yl]-N,N-dimethylmethanamine;hydrochloride
SMILESCOc1cccc(Sc2cscc2CN(C)C)c1.Cl
InChIInChI=1S/C14H17NOS2.ClH/c1-15(2)8-11-9-17-10-14(11)18-13-6-4-5-12(7-13)16-3;/h4-7,9-10H,8H2,1-3H3;1H
InChIKeyXIDJVHXEGHELIF-UHFFFAOYSA-N
MW315.89 g/mol
LogP4.39
Rot. Bonds5

About 1-[4-(3-methoxyphenyl)sulfanylthiophen-3-yl]-N,N-dimethylmethanamine;hydrochloride

1-[4-(3-methoxyphenyl)sulfanylthiophen-3-yl]-N,N-dimethylmethanamine;hydrochloride (PubChem CID 3077477) has the molecular formula C14H18ClNOS2 and a molecular weight of 315.89 g/mol. Its IUPAC name is 1-[4-(3-methoxyphenyl)sulfanylthiophen-3-yl]-N,N-dimethylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-[4-(3-methoxyphenyl)sulfanylthiophen-3-yl]-N,N-dimethylmethanamine;hydrochloride
PubChem CID3077477
Molecular FormulaC14H18ClNOS2
Molecular Weight315.89 g/mol
Exact Mass315.05
IUPAC Name1-[4-(3-methoxyphenyl)sulfanylthiophen-3-yl]-N,N-dimethylmethanamine;hydrochloride
SMILESCOc1cccc(Sc2cscc2CN(C)C)c1.Cl
InChIInChI=1S/C14H17NOS2.ClH/c1-15(2)8-11-9-17-10-14(11)18-13-6-4-5-12(7-13)16-3;/h4-7,9-10H,8H2,1-3H3;1H
InChIKeyXIDJVHXEGHELIF-UHFFFAOYSA-N
XLogP4.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.89
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxyphenyl)sulfanylthiophen-3-yl]-N,N-dimethylmethanamine;hydrochloride?
The IUPAC name of 1-[4-(3-methoxyphenyl)sulfanylthiophen-3-yl]-N,N-dimethylmethanamine;hydrochloride (CID 3077477) is 1-[4-(3-methoxyphenyl)sulfanylthiophen-3-yl]-N,N-dimethylmethanamine;hydrochloride.
What is the SMILES notation for 1-[4-(3-methoxyphenyl)sulfanylthiophen-3-yl]-N,N-dimethylmethanamine;hydrochloride?
The canonical SMILES for 1-[4-(3-methoxyphenyl)sulfanylthiophen-3-yl]-N,N-dimethylmethanamine;hydrochloride is COc1cccc(Sc2cscc2CN(C)C)c1.Cl.
What is the InChIKey of 1-[4-(3-methoxyphenyl)sulfanylthiophen-3-yl]-N,N-dimethylmethanamine;hydrochloride?
The InChIKey is XIDJVHXEGHELIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS2.ClH/c1-15(2)8-11-9-17-10-14(11)18-13-6-4-5-12(7-13)16-3;/h4-7,9-10H,8H2,1-3H3;1H.
What are the key properties of 1-[4-(3-methoxyphenyl)sulfanylthiophen-3-yl]-N,N-dimethylmethanamine;hydrochloride?
1-[4-(3-methoxyphenyl)sulfanylthiophen-3-yl]-N,N-dimethylmethanamine;hydrochloride has a molecular weight of 315.89 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxyphenyl)sulfanylthiophen-3-yl]-N,N-dimethylmethanamine;hydrochloride is sourced from PubChem (CID 3077477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).