3,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine

C10H15NS — CID 58774528

IUPAC3,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
SMILESCc1c(N)sc2c1CCC(C)C2
InChIInChI=1S/C10H15NS/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h6H,3-5,11H2,1-2H3
InChIKeyRYBFATSFHSWKPZ-UHFFFAOYSA-N
MW181.30 g/mol
LogP2.76
Rot. Bonds

About 3,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine

3,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine (PubChem CID 58774528) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 3,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine.

Molecular Properties

Compound Name3,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
PubChem CID58774528
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name3,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
SMILESCc1c(N)sc2c1CCC(C)C2
InChIInChI=1S/C10H15NS/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h6H,3-5,11H2,1-2H3
InChIKeyRYBFATSFHSWKPZ-UHFFFAOYSA-N
XLogP2.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The IUPAC name of 3,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine (CID 58774528) is 3,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine.
What is the SMILES notation for 3,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The canonical SMILES for 3,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine is Cc1c(N)sc2c1CCC(C)C2.
What is the InChIKey of 3,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The InChIKey is RYBFATSFHSWKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h6H,3-5,11H2,1-2H3.
What are the key properties of 3,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
3,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine has a molecular weight of 181.30 g/mol, XLogP of 2.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine is sourced from PubChem (CID 58774528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).