N-(2-ethylcyclopropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

C13H19NS — CID 103783841

IUPACN-(2-ethylcyclopropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESCCC1CC1NC1CCCc2sccc21
InChIInChI=1S/C13H19NS/c1-2-9-8-12(9)14-11-4-3-5-13-10(11)6-7-15-13/h6-7,9,11-12,14H,2-5,8H2,1H3
InChIKeyLZMRJYJSIIJUKV-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.51
Rot. Bonds3

About N-(2-ethylcyclopropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine

N-(2-ethylcyclopropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (PubChem CID 103783841) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is N-(2-ethylcyclopropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.

Molecular Properties

Compound NameN-(2-ethylcyclopropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
PubChem CID103783841
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC NameN-(2-ethylcyclopropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
SMILESCCC1CC1NC1CCCc2sccc21
InChIInChI=1S/C13H19NS/c1-2-9-8-12(9)14-11-4-3-5-13-10(11)6-7-15-13/h6-7,9,11-12,14H,2-5,8H2,1H3
InChIKeyLZMRJYJSIIJUKV-UHFFFAOYSA-N
XLogP3.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-propylcyclopropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 115892167
2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)cyclobutane-1-carboxylic acid
CID 103249503
N-(4-propylcycloheptyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 65091134
N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 62841752
(4R)-N-[(1S,3R)-3-[(R)-ethylsulfinyl]cyclohexyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 97233177
N-(2-ethylcyclopropyl)-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 114107749
tert-butyl N-[2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)cyclopropyl]carbamate
CID 107237762
N-(3-ethoxyspiro[3.4]octan-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 64863853
N-(3,3,5,5-tetramethylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 115998919
N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 62840392
N-(4-tert-butylcyclohexyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 63476354
N-[(2-ethyloxolan-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 114105285

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylcyclopropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The IUPAC name of N-(2-ethylcyclopropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine (CID 103783841) is N-(2-ethylcyclopropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine.
What is the SMILES notation for N-(2-ethylcyclopropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The canonical SMILES for N-(2-ethylcyclopropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is CCC1CC1NC1CCCc2sccc21.
What is the InChIKey of N-(2-ethylcyclopropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
The InChIKey is LZMRJYJSIIJUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-2-9-8-12(9)14-11-4-3-5-13-10(11)6-7-15-13/h6-7,9,11-12,14H,2-5,8H2,1H3.
What are the key properties of N-(2-ethylcyclopropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine?
N-(2-ethylcyclopropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine has a molecular weight of 221.37 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylcyclopropyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine is sourced from PubChem (CID 103783841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).