1-benzothiophene;propan-2-amine

C11H15NS — CID 67916286

IUPAC1-benzothiophene;propan-2-amine
SMILESCC(C)N.c1ccc2sccc2c1
InChIInChI=1S/C8H6S.C3H9N/c1-2-4-8-7(3-1)5-6-9-8;1-3(2)4/h1-6H;3H,4H2,1-2H3
InChIKeyIGZRUMSQEHGNML-UHFFFAOYSA-N
MW193.32 g/mol
LogP3.25
Rot. Bonds

About 1-benzothiophene;propan-2-amine

1-benzothiophene;propan-2-amine (PubChem CID 67916286) has the molecular formula C11H15NS and a molecular weight of 193.32 g/mol. Its IUPAC name is 1-benzothiophene;propan-2-amine.

Molecular Properties

Compound Name1-benzothiophene;propan-2-amine
PubChem CID67916286
Molecular FormulaC11H15NS
Molecular Weight193.32 g/mol
Exact Mass193.09
IUPAC Name1-benzothiophene;propan-2-amine
SMILESCC(C)N.c1ccc2sccc2c1
InChIInChI=1S/C8H6S.C3H9N/c1-2-4-8-7(3-1)5-6-9-8;1-3(2)4/h1-6H;3H,4H2,1-2H3
InChIKeyIGZRUMSQEHGNML-UHFFFAOYSA-N
XLogP3.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.32
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-benzothiophene;propan-2-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

1-benzothiophene
CID 175697738
1-benzothiophene
CID 7221
1-benzothiophene;gadolinium;hydrochloride
CID 174939578
1-benzothiophene borate
CID 19601166
1-benzothiophene;thiophene
CID 67877268
1-benzothiophene;ethane;propan-2-one
CID 90838293
1-benzothiophene;N-hydroxy-N-propan-2-ylacetamide
CID 91126069
CID 174953800
CID 174953800
1-benzothiophene;cyclopenta-1,3-diene
CID 145348127
(1R)-1-(1-benzothiophen-5-yl)ethanamine
CID 131094683
2-aminopropanoic acid;1-benzothiophene;2-(pyridin-2-ylamino)propanoic acid
CID 174859044
1-benzothiophene;thieno[2,3-e][1]benzothiole
CID 158748847

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophene;propan-2-amine?
The IUPAC name of 1-benzothiophene;propan-2-amine (CID 67916286) is 1-benzothiophene;propan-2-amine.
What is the SMILES notation for 1-benzothiophene;propan-2-amine?
The canonical SMILES for 1-benzothiophene;propan-2-amine is CC(C)N.c1ccc2sccc2c1.
What is the InChIKey of 1-benzothiophene;propan-2-amine?
The InChIKey is IGZRUMSQEHGNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6S.C3H9N/c1-2-4-8-7(3-1)5-6-9-8;1-3(2)4/h1-6H;3H,4H2,1-2H3.
What are the key properties of 1-benzothiophene;propan-2-amine?
1-benzothiophene;propan-2-amine has a molecular weight of 193.32 g/mol, XLogP of 3.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophene;propan-2-amine is sourced from PubChem (CID 67916286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).