N-(3-methylbutan-2-yl)-1-benzothiophen-5-amine

C13H17NS — CID 43687825

IUPACN-(3-methylbutan-2-yl)-1-benzothiophen-5-amine
SMILESCC(C)C(C)Nc1ccc2sccc2c1
InChIInChI=1S/C13H17NS/c1-9(2)10(3)14-12-4-5-13-11(8-12)6-7-15-13/h4-10,14H,1-3H3
InChIKeyZYZSZDGNODQEBJ-UHFFFAOYSA-N
MW219.35 g/mol
LogP4.36
Rot. Bonds3

About N-(3-methylbutan-2-yl)-1-benzothiophen-5-amine

N-(3-methylbutan-2-yl)-1-benzothiophen-5-amine (PubChem CID 43687825) has the molecular formula C13H17NS and a molecular weight of 219.35 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-1-benzothiophen-5-amine.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-1-benzothiophen-5-amine
PubChem CID43687825
Molecular FormulaC13H17NS
Molecular Weight219.35 g/mol
Exact Mass219.11
IUPAC NameN-(3-methylbutan-2-yl)-1-benzothiophen-5-amine
SMILESCC(C)C(C)Nc1ccc2sccc2c1
InChIInChI=1S/C13H17NS/c1-9(2)10(3)14-12-4-5-13-11(8-12)6-7-15-13/h4-10,14H,1-3H3
InChIKeyZYZSZDGNODQEBJ-UHFFFAOYSA-N
XLogP4.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-1-benzothiophen-5-amine?
The IUPAC name of N-(3-methylbutan-2-yl)-1-benzothiophen-5-amine (CID 43687825) is N-(3-methylbutan-2-yl)-1-benzothiophen-5-amine.
What is the SMILES notation for N-(3-methylbutan-2-yl)-1-benzothiophen-5-amine?
The canonical SMILES for N-(3-methylbutan-2-yl)-1-benzothiophen-5-amine is CC(C)C(C)Nc1ccc2sccc2c1.
What is the InChIKey of N-(3-methylbutan-2-yl)-1-benzothiophen-5-amine?
The InChIKey is ZYZSZDGNODQEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS/c1-9(2)10(3)14-12-4-5-13-11(8-12)6-7-15-13/h4-10,14H,1-3H3.
What are the key properties of N-(3-methylbutan-2-yl)-1-benzothiophen-5-amine?
N-(3-methylbutan-2-yl)-1-benzothiophen-5-amine has a molecular weight of 219.35 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-1-benzothiophen-5-amine is sourced from PubChem (CID 43687825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).