1-(3a,7a-dihydro-1-benzothiophen-4-yl)propan-2-amine

C11H15NS — CID 112712794

IUPAC1-(3a,7a-dihydro-1-benzothiophen-4-yl)propan-2-amine
SMILESCC(N)CC1=CC=CC2SC=CC12
InChIInChI=1S/C11H15NS/c1-8(12)7-9-3-2-4-11-10(9)5-6-13-11/h2-6,8,10-11H,7,12H2,1H3
InChIKeyBSQCNAKCMZLXLP-UHFFFAOYSA-N
MW193.31 g/mol
LogP2.47
Rot. Bonds2

About 1-(3a,7a-dihydro-1-benzothiophen-4-yl)propan-2-amine

1-(3a,7a-dihydro-1-benzothiophen-4-yl)propan-2-amine (PubChem CID 112712794) has the molecular formula C11H15NS and a molecular weight of 193.31 g/mol. Its IUPAC name is 1-(3a,7a-dihydro-1-benzothiophen-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3a,7a-dihydro-1-benzothiophen-4-yl)propan-2-amine
PubChem CID112712794
Molecular FormulaC11H15NS
Molecular Weight193.31 g/mol
Exact Mass193.09
IUPAC Name1-(3a,7a-dihydro-1-benzothiophen-4-yl)propan-2-amine
SMILESCC(N)CC1=CC=CC2SC=CC12
InChIInChI=1S/C11H15NS/c1-8(12)7-9-3-2-4-11-10(9)5-6-13-11/h2-6,8,10-11H,7,12H2,1H3
InChIKeyBSQCNAKCMZLXLP-UHFFFAOYSA-N
XLogP2.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3a,7a-dihydro-1-benzothiophen-4-yl)propan-2-amine?
The IUPAC name of 1-(3a,7a-dihydro-1-benzothiophen-4-yl)propan-2-amine (CID 112712794) is 1-(3a,7a-dihydro-1-benzothiophen-4-yl)propan-2-amine.
What is the SMILES notation for 1-(3a,7a-dihydro-1-benzothiophen-4-yl)propan-2-amine?
The canonical SMILES for 1-(3a,7a-dihydro-1-benzothiophen-4-yl)propan-2-amine is CC(N)CC1=CC=CC2SC=CC12.
What is the InChIKey of 1-(3a,7a-dihydro-1-benzothiophen-4-yl)propan-2-amine?
The InChIKey is BSQCNAKCMZLXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NS/c1-8(12)7-9-3-2-4-11-10(9)5-6-13-11/h2-6,8,10-11H,7,12H2,1H3.
What are the key properties of 1-(3a,7a-dihydro-1-benzothiophen-4-yl)propan-2-amine?
1-(3a,7a-dihydro-1-benzothiophen-4-yl)propan-2-amine has a molecular weight of 193.31 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3a,7a-dihydro-1-benzothiophen-4-yl)propan-2-amine is sourced from PubChem (CID 112712794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).