5-ethyl-6,7-dihydro-4H-1-benzothiophen-5-amine

C10H15NS — CID 177018356

IUPAC5-ethyl-6,7-dihydro-4H-1-benzothiophen-5-amine
SMILESCCC1(N)CCc2sccc2C1
InChIInChI=1S/C10H15NS/c1-2-10(11)5-3-9-8(7-10)4-6-12-9/h4,6H,2-3,5,7,11H2,1H3
InChIKeyWQGSJBLIGLCEEP-UHFFFAOYSA-N
MW181.30 g/mol
LogP2.34
Rot. Bonds1

About 5-ethyl-6,7-dihydro-4H-1-benzothiophen-5-amine

5-ethyl-6,7-dihydro-4H-1-benzothiophen-5-amine (PubChem CID 177018356) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 5-ethyl-6,7-dihydro-4H-1-benzothiophen-5-amine.

Molecular Properties

Compound Name5-ethyl-6,7-dihydro-4H-1-benzothiophen-5-amine
PubChem CID177018356
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name5-ethyl-6,7-dihydro-4H-1-benzothiophen-5-amine
SMILESCCC1(N)CCc2sccc2C1
InChIInChI=1S/C10H15NS/c1-2-10(11)5-3-9-8(7-10)4-6-12-9/h4,6H,2-3,5,7,11H2,1H3
InChIKeyWQGSJBLIGLCEEP-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

butane;ethane;4,5,6,7-tetrahydro-1-benzothiophene
CID 144580255
spiro[6,7-dihydro-4H-1-benzothiophene-5,2'-piperidine]
CID 19028905
2-(1-aminocyclobutyl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 79851562
butane;6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine
CID 167664571
2-(2-ethoxyethyl)-3,4-dihydro-1H-naphthalen-2-amine
CID 62621096
7,7-diethyl-5,6-dihydro-4H-thieno[2,3-c]pyridine
CID 165470562
2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-naphthalen-2-amine
CID 113446872
[1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-ethylcyclopentyl]methanamine
CID 64500933
4-methyl-1-(1,3-thiazol-2-ylmethyl)cyclohexan-1-amine
CID 79823883
2-[(5-ethylthiophen-2-yl)methyl]-1,3-dihydroinden-2-amine
CID 62621424
2-[(1-ethylimidazol-2-yl)methyl]-3,4-dihydro-1H-naphthalen-2-amine
CID 79744347
4,4-ditert-butyl-5,6-dihydrocyclopenta[b]thiophene
CID 176611134

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6,7-dihydro-4H-1-benzothiophen-5-amine?
The IUPAC name of 5-ethyl-6,7-dihydro-4H-1-benzothiophen-5-amine (CID 177018356) is 5-ethyl-6,7-dihydro-4H-1-benzothiophen-5-amine.
What is the SMILES notation for 5-ethyl-6,7-dihydro-4H-1-benzothiophen-5-amine?
The canonical SMILES for 5-ethyl-6,7-dihydro-4H-1-benzothiophen-5-amine is CCC1(N)CCc2sccc2C1.
What is the InChIKey of 5-ethyl-6,7-dihydro-4H-1-benzothiophen-5-amine?
The InChIKey is WQGSJBLIGLCEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-2-10(11)5-3-9-8(7-10)4-6-12-9/h4,6H,2-3,5,7,11H2,1H3.
What are the key properties of 5-ethyl-6,7-dihydro-4H-1-benzothiophen-5-amine?
5-ethyl-6,7-dihydro-4H-1-benzothiophen-5-amine has a molecular weight of 181.30 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6,7-dihydro-4H-1-benzothiophen-5-amine is sourced from PubChem (CID 177018356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).