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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Related Compounds

N-(3-methylbutan-2-yl)-2,3-dihydro-1-benzothiophen-3-amine
CID 81300725
N-[1-(oxan-4-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 103777436
N-pentan-3-yl-2,3-dihydro-1-benzothiophen-3-amine
CID 81302250
N-(1-phenylpropyl)-2,3-dihydro-1-benzothiophen-3-amine
CID 81333231
N-[1-(1-ethylpiperidin-4-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
CID 43740209
N-(4,4,4-trifluorobutan-2-yl)-2,3-dihydro-1-benzothiophen-3-amine
CID 113261768
N-[1-(4-bromophenyl)ethyl]-2,3-dihydro-1-benzothiophen-3-amine
CID 79690674
N-(1-pyridin-2-ylethyl)-2,3-dihydro-1-benzothiophen-3-amine
CID 81301992
N-(4-methylsulfanylbutan-2-yl)-2,3-dihydro-1-benzothiophen-3-amine
CID 115721998
N-(4-methoxybutan-2-yl)-2,3-dihydro-1-benzothiophen-3-amine
CID 81333010
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-2,3-dihydro-1-benzothiophen-3-amine
CID 81333466
N-[(1R)-1-cycloheptylethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 81390131

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).