N-(1-cyclobutylethyl)-2,3-dihydro-1-benzothiophen-3-amine

C14H19NS — CID 115721294

IUPACN-(1-cyclobutylethyl)-2,3-dihydro-1-benzothiophen-3-amine
SMILESCC(NC1CSc2ccccc21)C1CCC1
InChIInChI=1S/C14H19NS/c1-10(11-5-4-6-11)15-13-9-16-14-8-3-2-7-12(13)14/h2-3,7-8,10-11,13,15H,4-6,9H2,1H3
InChIKeyKIZADAJQYZELIV-UHFFFAOYSA-N
MW233.38 g/mol
LogP3.61
Rot. Bonds3

About N-(1-cyclobutylethyl)-2,3-dihydro-1-benzothiophen-3-amine

N-(1-cyclobutylethyl)-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 115721294) has the molecular formula C14H19NS and a molecular weight of 233.38 g/mol. Its IUPAC name is N-(1-cyclobutylethyl)-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound NameN-(1-cyclobutylethyl)-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID115721294
Molecular FormulaC14H19NS
Molecular Weight233.38 g/mol
Exact Mass233.12
IUPAC NameN-(1-cyclobutylethyl)-2,3-dihydro-1-benzothiophen-3-amine
SMILESCC(NC1CSc2ccccc21)C1CCC1
InChIInChI=1S/C14H19NS/c1-10(11-5-4-6-11)15-13-9-16-14-8-3-2-7-12(13)14/h2-3,7-8,10-11,13,15H,4-6,9H2,1H3
InChIKeyKIZADAJQYZELIV-UHFFFAOYSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylethyl)-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of N-(1-cyclobutylethyl)-2,3-dihydro-1-benzothiophen-3-amine (CID 115721294) is N-(1-cyclobutylethyl)-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for N-(1-cyclobutylethyl)-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for N-(1-cyclobutylethyl)-2,3-dihydro-1-benzothiophen-3-amine is CC(NC1CSc2ccccc21)C1CCC1.
What is the InChIKey of N-(1-cyclobutylethyl)-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is KIZADAJQYZELIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS/c1-10(11-5-4-6-11)15-13-9-16-14-8-3-2-7-12(13)14/h2-3,7-8,10-11,13,15H,4-6,9H2,1H3.
What are the key properties of N-(1-cyclobutylethyl)-2,3-dihydro-1-benzothiophen-3-amine?
N-(1-cyclobutylethyl)-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 233.38 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylethyl)-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 115721294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).