2-amino-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone

C10H13NOS — CID 10657175

IUPAC2-amino-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone
SMILESNCC(=O)c1cc2c(s1)CCCC2
InChIInChI=1S/C10H13NOS/c11-6-8(12)10-5-7-3-1-2-4-9(7)13-10/h5H,1-4,6,11H2
InChIKeyOXLILJCYRIUKCN-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.77
Rot. Bonds2

About 2-amino-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone

2-amino-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone (PubChem CID 10657175) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is 2-amino-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone
PubChem CID10657175
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Name2-amino-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone
SMILESNCC(=O)c1cc2c(s1)CCCC2
InChIInChI=1S/C10H13NOS/c11-6-8(12)10-5-7-3-1-2-4-9(7)13-10/h5H,1-4,6,11H2
InChIKeyOXLILJCYRIUKCN-UHFFFAOYSA-N
XLogP1.77
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(5,5-dioxo-6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)ethanone
CID 84802884
bis(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanone
CID 140811828
4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carboxamide
CID 25236556
5,5,5-trifluoro-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-one
CID 115792119
2-ethoxy-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone
CID 115782877
2-ethoxy-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanone
CID 115783007
3-ethyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentan-1-one
CID 115795153
2-(4-fluorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone
CID 61079517
1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)pent-4-en-1-one
CID 114974953
2-(3,5-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone
CID 114963218
2-cyclopentyl-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanone
CID 114969345
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)hex-5-en-1-one
CID 114974846

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone?
The IUPAC name of 2-amino-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone (CID 10657175) is 2-amino-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone.
What is the SMILES notation for 2-amino-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone?
The canonical SMILES for 2-amino-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone is NCC(=O)c1cc2c(s1)CCCC2.
What is the InChIKey of 2-amino-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone?
The InChIKey is OXLILJCYRIUKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c11-6-8(12)10-5-7-3-1-2-4-9(7)13-10/h5H,1-4,6,11H2.
What are the key properties of 2-amino-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone?
2-amino-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone has a molecular weight of 195.29 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone is sourced from PubChem (CID 10657175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).