[7-(aminomethyl)-3a,7a-dihydro-1-benzothiophen-2-yl]methanol

C10H13NOS — CID 112712948

IUPAC[7-(aminomethyl)-3a,7a-dihydro-1-benzothiophen-2-yl]methanol
SMILESNCC1=CC=CC2C=C(CO)SC12
InChIInChI=1S/C10H13NOS/c11-5-8-3-1-2-7-4-9(6-12)13-10(7)8/h1-4,7,10,12H,5-6,11H2
InChIKeyKZIUWJZTTNDOIG-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.05
Rot. Bonds2

About [7-(aminomethyl)-3a,7a-dihydro-1-benzothiophen-2-yl]methanol

[7-(aminomethyl)-3a,7a-dihydro-1-benzothiophen-2-yl]methanol (PubChem CID 112712948) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is [7-(aminomethyl)-3a,7a-dihydro-1-benzothiophen-2-yl]methanol.

Molecular Properties

Compound Name[7-(aminomethyl)-3a,7a-dihydro-1-benzothiophen-2-yl]methanol
PubChem CID112712948
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name[7-(aminomethyl)-3a,7a-dihydro-1-benzothiophen-2-yl]methanol
SMILESNCC1=CC=CC2C=C(CO)SC12
InChIInChI=1S/C10H13NOS/c11-5-8-3-1-2-7-4-9(6-12)13-10(7)8/h1-4,7,10,12H,5-6,11H2
InChIKeyKZIUWJZTTNDOIG-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

[6-(Aminomethyl)-3a,7a-dihydro-1-benzothiophen-2-yl]methanol
CID 112712949
[5-(Aminomethyl)-3a,7a-dihydro-1-benzothiophen-2-yl]methanol
CID 112712950
[4-(Aminomethyl)-3a,7a-dihydro-1-benzothiophen-2-yl]methanol
CID 112712951
1-(3a,7a-Dihydro-1-benzothiophen-7-yl)-2-aminoethanol
CID 112712952
[7-(2-Aminoethyl)-3a,7a-dihydro-1-benzothiophen-2-yl]methanol
CID 112713766
[6-(2-Aminoethyl)-3a,7a-dihydro-1-benzothiophen-2-yl]methanol
CID 112713767
[5-(2-Aminoethyl)-3a,7a-dihydro-1-benzothiophen-2-yl]methanol
CID 112713768
[4-(2-Aminoethyl)-3a,7a-dihydro-1-benzothiophen-2-yl]methanol
CID 112713769

Frequently Asked Questions

What is the IUPAC name of [7-(aminomethyl)-3a,7a-dihydro-1-benzothiophen-2-yl]methanol?
The IUPAC name of [7-(aminomethyl)-3a,7a-dihydro-1-benzothiophen-2-yl]methanol (CID 112712948) is [7-(aminomethyl)-3a,7a-dihydro-1-benzothiophen-2-yl]methanol.
What is the SMILES notation for [7-(aminomethyl)-3a,7a-dihydro-1-benzothiophen-2-yl]methanol?
The canonical SMILES for [7-(aminomethyl)-3a,7a-dihydro-1-benzothiophen-2-yl]methanol is NCC1=CC=CC2C=C(CO)SC12.
What is the InChIKey of [7-(aminomethyl)-3a,7a-dihydro-1-benzothiophen-2-yl]methanol?
The InChIKey is KZIUWJZTTNDOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c11-5-8-3-1-2-7-4-9(6-12)13-10(7)8/h1-4,7,10,12H,5-6,11H2.
What are the key properties of [7-(aminomethyl)-3a,7a-dihydro-1-benzothiophen-2-yl]methanol?
[7-(aminomethyl)-3a,7a-dihydro-1-benzothiophen-2-yl]methanol 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 [7-(aminomethyl)-3a,7a-dihydro-1-benzothiophen-2-yl]methanol is sourced from PubChem (CID 112712948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).