3-(3-aminopropyl)-2,3-dihydro-1-benzothiophen-4-ol

C11H15NOS — CID 117200332

IUPAC3-(3-aminopropyl)-2,3-dihydro-1-benzothiophen-4-ol
SMILESNCCCC1CSc2cccc(O)c21
InChIInChI=1S/C11H15NOS/c12-6-2-3-8-7-14-10-5-1-4-9(13)11(8)10/h1,4-5,8,13H,2-3,6-7,12H2
InChIKeyHWQNTUAVEQWCMF-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.32
Rot. Bonds3

About 3-(3-aminopropyl)-2,3-dihydro-1-benzothiophen-4-ol

3-(3-aminopropyl)-2,3-dihydro-1-benzothiophen-4-ol (PubChem CID 117200332) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 3-(3-aminopropyl)-2,3-dihydro-1-benzothiophen-4-ol.

Molecular Properties

Compound Name3-(3-aminopropyl)-2,3-dihydro-1-benzothiophen-4-ol
PubChem CID117200332
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name3-(3-aminopropyl)-2,3-dihydro-1-benzothiophen-4-ol
SMILESNCCCC1CSc2cccc(O)c21
InChIInChI=1S/C11H15NOS/c12-6-2-3-8-7-14-10-5-1-4-9(13)11(8)10/h1,4-5,8,13H,2-3,6-7,12H2
InChIKeyHWQNTUAVEQWCMF-UHFFFAOYSA-N
XLogP2.32
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophen-4-ol
CID 117200294
2-(4-bromo-2,3-dihydro-1-benzothiophen-3-yl)ethanamine
CID 117199847
2-(4-hydroxy-2,3-dihydro-1-benzothiophen-3-yl)acetic acid
CID 117200338
4-(aminomethyl)-3,4-dihydro-2H-thiochromen-5-ol
CID 112709775
3-(3-aminopropyl)-1-methyl-2,3-dihydroindol-4-ol
CID 117200414
(4R)-4-amino-3,4-dihydro-2H-thiochromen-5-ol
CID 131036789
3-(4-chloro-2,3-dihydro-1-benzothiophen-3-yl)propanoic acid
CID 117199872
3-(5-ethyl-3,4-dihydro-2H-1,4-benzothiazin-3-yl)propan-1-amine
CID 84628515
2-methyl-1-(3-methyl-2,3-dihydro-1-benzothiophen-4-yl)propan-2-ol
CID 117203047
3-(4-chloro-2,3-dihydro-1-benzothiophen-2-yl)propan-1-amine
CID 117198579
5-(2,3-dihydro-1-benzothiophen-3-yl)pentan-2-ol
CID 79225995
3,4-dimethyl-2,3-dihydro-1-benzothiophene
CID 23165633

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-2,3-dihydro-1-benzothiophen-4-ol?
The IUPAC name of 3-(3-aminopropyl)-2,3-dihydro-1-benzothiophen-4-ol (CID 117200332) is 3-(3-aminopropyl)-2,3-dihydro-1-benzothiophen-4-ol.
What is the SMILES notation for 3-(3-aminopropyl)-2,3-dihydro-1-benzothiophen-4-ol?
The canonical SMILES for 3-(3-aminopropyl)-2,3-dihydro-1-benzothiophen-4-ol is NCCCC1CSc2cccc(O)c21.
What is the InChIKey of 3-(3-aminopropyl)-2,3-dihydro-1-benzothiophen-4-ol?
The InChIKey is HWQNTUAVEQWCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c12-6-2-3-8-7-14-10-5-1-4-9(13)11(8)10/h1,4-5,8,13H,2-3,6-7,12H2.
What are the key properties of 3-(3-aminopropyl)-2,3-dihydro-1-benzothiophen-4-ol?
3-(3-aminopropyl)-2,3-dihydro-1-benzothiophen-4-ol has a molecular weight of 209.31 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-2,3-dihydro-1-benzothiophen-4-ol is sourced from PubChem (CID 117200332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).