1-(3a,7a-dihydro-1-benzothiophen-7-yl)-2-aminoethanol

C10H13NOS — CID 112712952

IUPAC1-(3a,7a-dihydro-1-benzothiophen-7-yl)-2-aminoethanol
SMILESNCC(O)C1=CC=CC2C=CSC12
InChIInChI=1S/C10H13NOS/c11-6-9(12)8-3-1-2-7-4-5-13-10(7)8/h1-5,7,9-10,12H,6,11H2
InChIKeyCTTRBJLUMMHYIU-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.05
Rot. Bonds2

About 1-(3a,7a-dihydro-1-benzothiophen-7-yl)-2-aminoethanol

1-(3a,7a-dihydro-1-benzothiophen-7-yl)-2-aminoethanol (PubChem CID 112712952) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 1-(3a,7a-dihydro-1-benzothiophen-7-yl)-2-aminoethanol.

Molecular Properties

Compound Name1-(3a,7a-dihydro-1-benzothiophen-7-yl)-2-aminoethanol
PubChem CID112712952
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name1-(3a,7a-dihydro-1-benzothiophen-7-yl)-2-aminoethanol
SMILESNCC(O)C1=CC=CC2C=CSC12
InChIInChI=1S/C10H13NOS/c11-6-9(12)8-3-1-2-7-4-5-13-10(7)8/h1-5,7,9-10,12H,6,11H2
InChIKeyCTTRBJLUMMHYIU-UHFFFAOYSA-N
XLogP1.05
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[2-(hydroxymethyl)-3a,7a-dihydro-1H-indol-7-yl]ethanol
CID 112713618
1-(3a,7a-dihydro-1-benzothiophen-5-yl)-2-aminoethanol
CID 112712954
1-(3a,7a-dihydro-1-benzothiophen-5-yl)-2-aminoethanone
CID 112712759
2-amino-1-spiro[cyclopropane-1,3'-indene]-1'-ylethanol
CID 23346457
1-(3a,7a-dihydro-1-benzofuran-6-yl)-2-aminoethanol
CID 112712259
2-amino-1-indolizin-1-ylethanol
CID 169203364
(1S)-2-amino-1-(3-chloro-4-methylthiophen-2-yl)ethanol
CID 69219309
5-(2-amino-1-hydroxyethyl)benzene-1,3-diol
CID 12534519
4-[(1R)-2-amino-1-hydroxyethyl]cyclohexa-2,4-diene-1,2-diol
CID 89452574
2-amino-1-[4-(thietan-3-yl)phenyl]ethanol
CID 83834617
2-amino-1-(3-fluoro-2-methylsulfanylphenyl)ethanol
CID 117290140
1-(dithiin-3-yl)ethane-1,2-diol
CID 19033994

Frequently Asked Questions

What is the IUPAC name of 1-(3a,7a-dihydro-1-benzothiophen-7-yl)-2-aminoethanol?
The IUPAC name of 1-(3a,7a-dihydro-1-benzothiophen-7-yl)-2-aminoethanol (CID 112712952) is 1-(3a,7a-dihydro-1-benzothiophen-7-yl)-2-aminoethanol.
What is the SMILES notation for 1-(3a,7a-dihydro-1-benzothiophen-7-yl)-2-aminoethanol?
The canonical SMILES for 1-(3a,7a-dihydro-1-benzothiophen-7-yl)-2-aminoethanol is NCC(O)C1=CC=CC2C=CSC12.
What is the InChIKey of 1-(3a,7a-dihydro-1-benzothiophen-7-yl)-2-aminoethanol?
The InChIKey is CTTRBJLUMMHYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c11-6-9(12)8-3-1-2-7-4-5-13-10(7)8/h1-5,7,9-10,12H,6,11H2.
What are the key properties of 1-(3a,7a-dihydro-1-benzothiophen-7-yl)-2-aminoethanol?
1-(3a,7a-dihydro-1-benzothiophen-7-yl)-2-aminoethanol has a molecular weight of 195.29 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3a,7a-dihydro-1-benzothiophen-7-yl)-2-aminoethanol is sourced from PubChem (CID 112712952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).