3-[2-(methylaminomethyl)phenyl]sulfanyl-1-benzothiophen-5-ol

C16H15NOS2 — CID 15982556

IUPAC3-[2-(methylaminomethyl)phenyl]sulfanyl-1-benzothiophen-5-ol
SMILESCNCc1ccccc1Sc1csc2ccc(O)cc12
InChIInChI=1S/C16H15NOS2/c1-17-9-11-4-2-3-5-14(11)20-16-10-19-15-7-6-12(18)8-13(15)16/h2-8,10,17-18H,9H2,1H3
InChIKeyFFEFKXKBGHHKDN-UHFFFAOYSA-N
MW301.44 g/mol
LogP4.48
Rot. Bonds4

About 3-[2-(methylaminomethyl)phenyl]sulfanyl-1-benzothiophen-5-ol

3-[2-(methylaminomethyl)phenyl]sulfanyl-1-benzothiophen-5-ol (PubChem CID 15982556) has the molecular formula C16H15NOS2 and a molecular weight of 301.44 g/mol. Its IUPAC name is 3-[2-(methylaminomethyl)phenyl]sulfanyl-1-benzothiophen-5-ol.

Molecular Properties

Compound Name3-[2-(methylaminomethyl)phenyl]sulfanyl-1-benzothiophen-5-ol
PubChem CID15982556
Molecular FormulaC16H15NOS2
Molecular Weight301.44 g/mol
Exact Mass301.06
IUPAC Name3-[2-(methylaminomethyl)phenyl]sulfanyl-1-benzothiophen-5-ol
SMILESCNCc1ccccc1Sc1csc2ccc(O)cc12
InChIInChI=1S/C16H15NOS2/c1-17-9-11-4-2-3-5-14(11)20-16-10-19-15-7-6-12(18)8-13(15)16/h2-8,10,17-18H,9H2,1H3
InChIKeyFFEFKXKBGHHKDN-UHFFFAOYSA-N
XLogP4.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(methylaminomethyl)phenyl]sulfanyl-1-benzothiophen-5-amine
CID 69116575
N-methyl-1-(2-pyrimidin-2-ylsulfanylphenyl)methanamine
CID 63804628
(E)-but-2-enedioic acid;2-[2-(methylaminomethyl)phenyl]sulfanylphenol
CID 6449759
1-[2-(3-chlorophenyl)sulfanylphenyl]-N-methylmethanamine
CID 63808082
3-[(2-hydroxyphenoxy)methyl]-1-benzothiophen-5-ol
CID 117174722
2-[2-(methylaminomethyl)phenyl]sulfanyl-5-(trifluoromethyl)aniline
CID 10828902
N-methyl-1-[2-(3-methylbutan-2-ylsulfanyl)phenyl]methanamine
CID 107761549
3-(aminomethyl)-1-benzothiophen-5-ol
CID 117120749
5-ethyl-2-[2-(methylaminomethyl)phenyl]sulfanylaniline
CID 11346324
(2S)-2-amino-3-(5-hydroxy-1H-indol-3-yl)propanoic acid;1-[2-[(6-fluoro-1H-indol-3-yl)sulfanyl]phenyl]-N-methylmethanamine
CID 46912242
3-(1-fluoroethyl)-1-benzothiophen-5-ol
CID 84666921
2-(5-hydroxy-1-benzothiophen-3-yl)acetic acid
CID 27808

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methylaminomethyl)phenyl]sulfanyl-1-benzothiophen-5-ol?
The IUPAC name of 3-[2-(methylaminomethyl)phenyl]sulfanyl-1-benzothiophen-5-ol (CID 15982556) is 3-[2-(methylaminomethyl)phenyl]sulfanyl-1-benzothiophen-5-ol.
What is the SMILES notation for 3-[2-(methylaminomethyl)phenyl]sulfanyl-1-benzothiophen-5-ol?
The canonical SMILES for 3-[2-(methylaminomethyl)phenyl]sulfanyl-1-benzothiophen-5-ol is CNCc1ccccc1Sc1csc2ccc(O)cc12.
What is the InChIKey of 3-[2-(methylaminomethyl)phenyl]sulfanyl-1-benzothiophen-5-ol?
The InChIKey is FFEFKXKBGHHKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NOS2/c1-17-9-11-4-2-3-5-14(11)20-16-10-19-15-7-6-12(18)8-13(15)16/h2-8,10,17-18H,9H2,1H3.
What are the key properties of 3-[2-(methylaminomethyl)phenyl]sulfanyl-1-benzothiophen-5-ol?
3-[2-(methylaminomethyl)phenyl]sulfanyl-1-benzothiophen-5-ol has a molecular weight of 301.44 g/mol, XLogP of 4.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methylaminomethyl)phenyl]sulfanyl-1-benzothiophen-5-ol is sourced from PubChem (CID 15982556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).