3-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine

C10H15NS — CID 66920154

IUPAC3-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
SMILESCCc1c(N)sc2c1CCCC2
InChIInChI=1S/C10H15NS/c1-2-7-8-5-3-4-6-9(8)12-10(7)11/h2-6,11H2,1H3
InChIKeyBTLPAXYSZRLVDG-UHFFFAOYSA-N
MW181.30 g/mol
LogP2.77
Rot. Bonds1

About 3-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine

3-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine (PubChem CID 66920154) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 3-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine.

Molecular Properties

Compound Name3-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
PubChem CID66920154
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name3-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
SMILESCCc1c(N)sc2c1CCCC2
InChIInChI=1S/C10H15NS/c1-2-7-8-5-3-4-6-9(8)12-10(7)11/h2-6,11H2,1H3
InChIKeyBTLPAXYSZRLVDG-UHFFFAOYSA-N
XLogP2.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The IUPAC name of 3-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine (CID 66920154) is 3-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine.
What is the SMILES notation for 3-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The canonical SMILES for 3-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine is CCc1c(N)sc2c1CCCC2.
What is the InChIKey of 3-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The InChIKey is BTLPAXYSZRLVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-2-7-8-5-3-4-6-9(8)12-10(7)11/h2-6,11H2,1H3.
What are the key properties of 3-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
3-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine has a molecular weight of 181.30 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine is sourced from PubChem (CID 66920154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).