N-pentan-3-yl-2,3-dihydro-1-benzothiophen-3-amine

C13H19NS — CID 81302250

IUPACN-pentan-3-yl-2,3-dihydro-1-benzothiophen-3-amine
SMILESCCC(CC)NC1CSc2ccccc21
InChIInChI=1S/C13H19NS/c1-3-10(4-2)14-12-9-15-13-8-6-5-7-11(12)13/h5-8,10,12,14H,3-4,9H2,1-2H3
InChIKeyYBUYBNNIBCQULB-UHFFFAOYSA-N
MW221.37 g/mol
LogP3.61
Rot. Bonds4

About N-pentan-3-yl-2,3-dihydro-1-benzothiophen-3-amine

N-pentan-3-yl-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 81302250) has the molecular formula C13H19NS and a molecular weight of 221.37 g/mol. Its IUPAC name is N-pentan-3-yl-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound NameN-pentan-3-yl-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID81302250
Molecular FormulaC13H19NS
Molecular Weight221.37 g/mol
Exact Mass221.12
IUPAC NameN-pentan-3-yl-2,3-dihydro-1-benzothiophen-3-amine
SMILESCCC(CC)NC1CSc2ccccc21
InChIInChI=1S/C13H19NS/c1-3-10(4-2)14-12-9-15-13-8-6-5-7-11(12)13/h5-8,10,12,14H,3-4,9H2,1-2H3
InChIKeyYBUYBNNIBCQULB-UHFFFAOYSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-pentan-3-yl-2,3-dihydro-1-benzothiophen-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-phenylpropyl)-2,3-dihydro-1-benzothiophen-3-amine
CID 81333231
N-(3-methylbutan-2-yl)-2,3-dihydro-1-benzothiophen-3-amine
CID 81300725
N-(1-cyclobutylethyl)-2,3-dihydro-1-benzothiophen-3-amine
CID 115721294
N-(4,4,4-trifluorobutan-2-yl)-2,3-dihydro-1-benzothiophen-3-amine
CID 113261768
N-(1-phenylbutan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 79008955
N-(5-methylheptan-3-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43740223
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-(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
2-(2,3-dihydro-1-benzothiophen-3-ylamino)ethanol
CID 81302336
N-(1-bromobutan-2-yl)-2,3-dihydro-1-benzothiophene-3-carboxamide
CID 114307545

Frequently Asked Questions

What is the IUPAC name of N-pentan-3-yl-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of N-pentan-3-yl-2,3-dihydro-1-benzothiophen-3-amine (CID 81302250) is N-pentan-3-yl-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for N-pentan-3-yl-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for N-pentan-3-yl-2,3-dihydro-1-benzothiophen-3-amine is CCC(CC)NC1CSc2ccccc21.
What is the InChIKey of N-pentan-3-yl-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is YBUYBNNIBCQULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NS/c1-3-10(4-2)14-12-9-15-13-8-6-5-7-11(12)13/h5-8,10,12,14H,3-4,9H2,1-2H3.
What are the key properties of N-pentan-3-yl-2,3-dihydro-1-benzothiophen-3-amine?
N-pentan-3-yl-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 221.37 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 81302250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).