2-(3-aminopropyl)-2,3-dihydro-1-benzothiophen-5-ol

C11H15NOS — CID 117201381

IUPAC2-(3-aminopropyl)-2,3-dihydro-1-benzothiophen-5-ol
SMILESNCCCC1Cc2cc(O)ccc2S1
InChIInChI=1S/C11H15NOS/c12-5-1-2-10-7-8-6-9(13)3-4-11(8)14-10/h3-4,6,10,13H,1-2,5,7,12H2
InChIKeyDISOCJBTWCFDOK-UHFFFAOYSA-N
MW209.31 g/mol
LogP2.15
Rot. Bonds3

About 2-(3-aminopropyl)-2,3-dihydro-1-benzothiophen-5-ol

2-(3-aminopropyl)-2,3-dihydro-1-benzothiophen-5-ol (PubChem CID 117201381) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is 2-(3-aminopropyl)-2,3-dihydro-1-benzothiophen-5-ol.

Molecular Properties

Compound Name2-(3-aminopropyl)-2,3-dihydro-1-benzothiophen-5-ol
PubChem CID117201381
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Name2-(3-aminopropyl)-2,3-dihydro-1-benzothiophen-5-ol
SMILESNCCCC1Cc2cc(O)ccc2S1
InChIInChI=1S/C11H15NOS/c12-5-1-2-10-7-8-6-9(13)3-4-11(8)14-10/h3-4,6,10,13H,1-2,5,7,12H2
InChIKeyDISOCJBTWCFDOK-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-bromo-2,3-dihydro-1-benzothiophen-2-yl)propan-1-amine
CID 117201027
3-(5-hydroxy-2,3-dihydro-1-benzothiophen-2-yl)propanoic acid
CID 117201392
3-(4-chloro-2,3-dihydro-1-benzothiophen-2-yl)propan-1-amine
CID 117198579
2-(5-chloro-2,3-dihydro-1-benzothiophen-2-yl)-N-methylethanamine
CID 117201016
1-(5-chloro-2,3-dihydro-1-benzothiophen-2-yl)propan-2-one
CID 117200982
N-methyl-3-[5-(trifluoromethyl)-2,3-dihydro-1-benzothiophen-2-yl]propan-1-amine
CID 117200613
2-(5-hydroxy-2,3-dihydro-1-benzothiophen-2-yl)propanoic acid
CID 117201387
4-(2,3-dihydro-1-benzothiophen-2-yl)butanoic acid
CID 81009486
4-(3-aminopropyl)-3-[(3R)-6-hydroxy-3,4-dihydro-2H-thiochromen-3-yl]-1H-imidazole-2-thione
CID 87151754
N'-(2,3-dihydro-1-benzothiophen-2-ylmethyl)propane-1,3-diamine
CID 79221945
4-chloro-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-fluoroaniline
CID 79222390
ethane;2-ethyl-5-methyl-2,3-dihydro-1-benzothiophene
CID 142072053

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-2,3-dihydro-1-benzothiophen-5-ol?
The IUPAC name of 2-(3-aminopropyl)-2,3-dihydro-1-benzothiophen-5-ol (CID 117201381) is 2-(3-aminopropyl)-2,3-dihydro-1-benzothiophen-5-ol.
What is the SMILES notation for 2-(3-aminopropyl)-2,3-dihydro-1-benzothiophen-5-ol?
The canonical SMILES for 2-(3-aminopropyl)-2,3-dihydro-1-benzothiophen-5-ol is NCCCC1Cc2cc(O)ccc2S1.
What is the InChIKey of 2-(3-aminopropyl)-2,3-dihydro-1-benzothiophen-5-ol?
The InChIKey is DISOCJBTWCFDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c12-5-1-2-10-7-8-6-9(13)3-4-11(8)14-10/h3-4,6,10,13H,1-2,5,7,12H2.
What are the key properties of 2-(3-aminopropyl)-2,3-dihydro-1-benzothiophen-5-ol?
2-(3-aminopropyl)-2,3-dihydro-1-benzothiophen-5-ol has a molecular weight of 209.31 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-2,3-dihydro-1-benzothiophen-5-ol is sourced from PubChem (CID 117201381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).