N,N-dimethyl-2,3-dihydro-1-benzothiophen-3-amine

C10H13NS — CID 16639714

IUPACN,N-dimethyl-2,3-dihydro-1-benzothiophen-3-amine
SMILESCN(C)C1CSc2ccccc21
InChIInChI=1S/C10H13NS/c1-11(2)9-7-12-10-6-4-3-5-8(9)10/h3-6,9H,7H2,1-2H3
InChIKeySCEATBIQEWQDQG-UHFFFAOYSA-N
MW179.29 g/mol
LogP2.39
Rot. Bonds1

About N,N-dimethyl-2,3-dihydro-1-benzothiophen-3-amine

N,N-dimethyl-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 16639714) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is N,N-dimethyl-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID16639714
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC NameN,N-dimethyl-2,3-dihydro-1-benzothiophen-3-amine
SMILESCN(C)C1CSc2ccccc21
InChIInChI=1S/C10H13NS/c1-11(2)9-7-12-10-6-4-3-5-8(9)10/h3-6,9H,7H2,1-2H3
InChIKeySCEATBIQEWQDQG-UHFFFAOYSA-N
XLogP2.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-dimethyl-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

(3S,4R)-3-[(dimethylamino)methyl]-3,4-dihydro-2H-thiochromen-4-ol
CID 58752433
2-chloro-N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-methylethanamine
CID 79226851
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N,3-dimethylaniline
CID 79315891
3-prop-1-en-2-yl-2,3-dihydro-1-benzothiophene
CID 89250022
N-(2,6-dibromophenyl)-2,3-dihydro-1-benzothiophen-3-amine
CID 107597735
2-[2,3-dihydro-1-benzothiophene-3-carbonyl(methyl)amino]acetic acid
CID 79213652
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-N-methyloxan-4-amine
CID 79320051
[(3R)-2,3-dihydro-1-benzothiophen-3-yl]methanol
CID 124511720
1-[[2,3-dihydro-1-benzothiophen-3-ylmethyl(methyl)amino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416309
2-[[2,3-dihydro-1-benzothiophen-3-ylmethyl(methyl)amino]methyl]aniline
CID 79220802
2-[2,3-dihydro-1-benzothiophen-3-ylmethyl(methyl)amino]propanenitrile
CID 79220946
2,3-dihydro-1-benzothiophene-3-carboxylic acid
CID 54594261

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of N,N-dimethyl-2,3-dihydro-1-benzothiophen-3-amine (CID 16639714) is N,N-dimethyl-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for N,N-dimethyl-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for N,N-dimethyl-2,3-dihydro-1-benzothiophen-3-amine is CN(C)C1CSc2ccccc21.
What is the InChIKey of N,N-dimethyl-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is SCEATBIQEWQDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NS/c1-11(2)9-7-12-10-6-4-3-5-8(9)10/h3-6,9H,7H2,1-2H3.
What are the key properties of N,N-dimethyl-2,3-dihydro-1-benzothiophen-3-amine?
N,N-dimethyl-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 179.29 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 16639714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).