1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopropan-1-amine

C12H15NS — CID 79223158

IUPAC1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopropan-1-amine
SMILESNC1(CC2Cc3ccccc3S2)CC1
InChIInChI=1S/C12H15NS/c13-12(5-6-12)8-10-7-9-3-1-2-4-11(9)14-10/h1-4,10H,5-8,13H2
InChIKeyQSQIIUBHZKVIHX-UHFFFAOYSA-N
MW205.33 g/mol
LogP2.58
Rot. Bonds2

About 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopropan-1-amine

1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopropan-1-amine (PubChem CID 79223158) has the molecular formula C12H15NS and a molecular weight of 205.33 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopropan-1-amine
PubChem CID79223158
Molecular FormulaC12H15NS
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC Name1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopropan-1-amine
SMILESNC1(CC2Cc3ccccc3S2)CC1
InChIInChI=1S/C12H15NS/c13-12(5-6-12)8-10-7-9-3-1-2-4-11(9)14-10/h1-4,10H,5-8,13H2
InChIKeyQSQIIUBHZKVIHX-UHFFFAOYSA-N
XLogP2.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopropan-1-amine?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopropan-1-amine (CID 79223158) is 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopropan-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopropan-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopropan-1-amine is NC1(CC2Cc3ccccc3S2)CC1.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopropan-1-amine?
The InChIKey is QSQIIUBHZKVIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS/c13-12(5-6-12)8-10-7-9-3-1-2-4-11(9)14-10/h1-4,10H,5-8,13H2.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopropan-1-amine?
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopropan-1-amine has a molecular weight of 205.33 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopropan-1-amine is sourced from PubChem (CID 79223158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).