2,3-dihydro-1-benzothiophen-3-yl-(3-methylthiophen-2-yl)methanamine

C14H15NS2 — CID 105166501

IUPAC2,3-dihydro-1-benzothiophen-3-yl-(3-methylthiophen-2-yl)methanamine
SMILESCc1ccsc1C(N)C1CSc2ccccc21
InChIInChI=1S/C14H15NS2/c1-9-6-7-16-14(9)13(15)11-8-17-12-5-3-2-4-10(11)12/h2-7,11,13H,8,15H2,1H3
InChIKeyCASKZAZKCZDOOH-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.95
Rot. Bonds2

About 2,3-dihydro-1-benzothiophen-3-yl-(3-methylthiophen-2-yl)methanamine

2,3-dihydro-1-benzothiophen-3-yl-(3-methylthiophen-2-yl)methanamine (PubChem CID 105166501) has the molecular formula C14H15NS2 and a molecular weight of 261.41 g/mol. Its IUPAC name is 2,3-dihydro-1-benzothiophen-3-yl-(3-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1-benzothiophen-3-yl-(3-methylthiophen-2-yl)methanamine
PubChem CID105166501
Molecular FormulaC14H15NS2
Molecular Weight261.41 g/mol
Exact Mass261.06
IUPAC Name2,3-dihydro-1-benzothiophen-3-yl-(3-methylthiophen-2-yl)methanamine
SMILESCc1ccsc1C(N)C1CSc2ccccc21
InChIInChI=1S/C14H15NS2/c1-9-6-7-16-14(9)13(15)11-8-17-12-5-3-2-4-10(11)12/h2-7,11,13H,8,15H2,1H3
InChIKeyCASKZAZKCZDOOH-UHFFFAOYSA-N
XLogP3.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1-benzothiophen-3-yl-(2,3-dimethylphenyl)methanamine
CID 105140626
2,3-dihydro-1-benzothiophen-3-yl(furan-3-yl)methanamine
CID 105146701
1-(2,3-dihydro-1-benzothiophen-3-yl)-4-methylpentan-1-amine
CID 105126981
2,3-dihydro-1-benzothiophen-3-yl-(1-methylimidazol-2-yl)methanamine
CID 105149588
cyclohepten-1-yl(2,3-dihydro-1-benzothiophen-3-yl)methanamine
CID 106657047
(4-methylthiomorpholin-3-yl)-(3-methylthiophen-2-yl)methanamine
CID 103595870
(2-methylcyclopentyl)-(3-methylthiophen-2-yl)methanamine
CID 107177670
1-(2,3-dihydro-1-benzothiophen-3-yl)heptan-1-amine
CID 105126135
2-cyclopentyl-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine
CID 105138979
(3-methylthiophen-2-yl)-(oxan-4-yl)methanamine
CID 62906714
4-[amino-(3-methylthiophen-2-yl)methyl]cyclohexan-1-ol
CID 116941904
[cyclopropyl(2,3-dihydro-1-benzothiophen-3-yl)methyl]hydrazine
CID 105314544

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzothiophen-3-yl-(3-methylthiophen-2-yl)methanamine?
The IUPAC name of 2,3-dihydro-1-benzothiophen-3-yl-(3-methylthiophen-2-yl)methanamine (CID 105166501) is 2,3-dihydro-1-benzothiophen-3-yl-(3-methylthiophen-2-yl)methanamine.
What is the SMILES notation for 2,3-dihydro-1-benzothiophen-3-yl-(3-methylthiophen-2-yl)methanamine?
The canonical SMILES for 2,3-dihydro-1-benzothiophen-3-yl-(3-methylthiophen-2-yl)methanamine is Cc1ccsc1C(N)C1CSc2ccccc21.
What is the InChIKey of 2,3-dihydro-1-benzothiophen-3-yl-(3-methylthiophen-2-yl)methanamine?
The InChIKey is CASKZAZKCZDOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NS2/c1-9-6-7-16-14(9)13(15)11-8-17-12-5-3-2-4-10(11)12/h2-7,11,13H,8,15H2,1H3.
What are the key properties of 2,3-dihydro-1-benzothiophen-3-yl-(3-methylthiophen-2-yl)methanamine?
2,3-dihydro-1-benzothiophen-3-yl-(3-methylthiophen-2-yl)methanamine has a molecular weight of 261.41 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzothiophen-3-yl-(3-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 105166501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).