(4-amino-5-ethyl-1-benzothiophen-6-yl)methanol

C11H13NOS — CID 130971765

IUPAC(4-amino-5-ethyl-1-benzothiophen-6-yl)methanol
SMILESCCc1c(CO)cc2sccc2c1N
InChIInChI=1S/C11H13NOS/c1-2-8-7(6-13)5-10-9(11(8)12)3-4-14-10/h3-5,13H,2,6,12H2,1H3
InChIKeyCSYWVVYOMSYBAK-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.54
Rot. Bonds2

About (4-amino-5-ethyl-1-benzothiophen-6-yl)methanol

(4-amino-5-ethyl-1-benzothiophen-6-yl)methanol (PubChem CID 130971765) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is (4-amino-5-ethyl-1-benzothiophen-6-yl)methanol.

Molecular Properties

Compound Name(4-amino-5-ethyl-1-benzothiophen-6-yl)methanol
PubChem CID130971765
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name(4-amino-5-ethyl-1-benzothiophen-6-yl)methanol
SMILESCCc1c(CO)cc2sccc2c1N
InChIInChI=1S/C11H13NOS/c1-2-8-7(6-13)5-10-9(11(8)12)3-4-14-10/h3-5,13H,2,6,12H2,1H3
InChIKeyCSYWVVYOMSYBAK-UHFFFAOYSA-N
XLogP2.54
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[4-amino-5-(chloromethyl)-1-benzothiophen-6-yl]methanol
CID 130803320
4-ethyl-6-(hydroxymethyl)-1-benzothiophen-5-ol
CID 131196602
4-ethyl-6-iodo-1-benzothiophen-5-amine
CID 130866246
(5-ethyl-6-sulfanyl-1-benzothiophen-4-yl)methanol
CID 131001484
(5-bromo-4-ethyl-1-benzothiophen-7-yl)methanol
CID 131146100
(7-ethyl-6-methyl-1-benzothiophen-4-yl)methanol
CID 131002417
(6-amino-5-bromo-1-benzothiophen-4-yl)methanol
CID 130805448
6-(bromomethyl)-5-ethyl-4-iodo-1-benzothiophene
CID 130955965
5-(hydroxymethyl)-1-benzothiophene-4,6-diol
CID 130969866
4-amino-5-sulfanyl-1-benzothiophen-6-ol
CID 130971922
(5-methylsulfanyl-4-sulfanyl-1-benzothiophen-6-yl)methanol
CID 131219140
(4-amino-7-methyl-1-benzothiophen-5-yl)methanol
CID 130956430

Frequently Asked Questions

What is the IUPAC name of (4-amino-5-ethyl-1-benzothiophen-6-yl)methanol?
The IUPAC name of (4-amino-5-ethyl-1-benzothiophen-6-yl)methanol (CID 130971765) is (4-amino-5-ethyl-1-benzothiophen-6-yl)methanol.
What is the SMILES notation for (4-amino-5-ethyl-1-benzothiophen-6-yl)methanol?
The canonical SMILES for (4-amino-5-ethyl-1-benzothiophen-6-yl)methanol is CCc1c(CO)cc2sccc2c1N.
What is the InChIKey of (4-amino-5-ethyl-1-benzothiophen-6-yl)methanol?
The InChIKey is CSYWVVYOMSYBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-2-8-7(6-13)5-10-9(11(8)12)3-4-14-10/h3-5,13H,2,6,12H2,1H3.
What are the key properties of (4-amino-5-ethyl-1-benzothiophen-6-yl)methanol?
(4-amino-5-ethyl-1-benzothiophen-6-yl)methanol has a molecular weight of 207.30 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-ethyl-1-benzothiophen-6-yl)methanol is sourced from PubChem (CID 130971765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).