[1-(2-methyl-1-benzothiophen-3-yl)cyclopropyl]methanamine

C13H15NS — CID 116987517

IUPAC[1-(2-methyl-1-benzothiophen-3-yl)cyclopropyl]methanamine
SMILESCc1sc2ccccc2c1C1(CN)CC1
InChIInChI=1S/C13H15NS/c1-9-12(13(8-14)6-7-13)10-4-2-3-5-11(10)15-9/h2-5H,6-8,14H2,1H3
InChIKeyWAZNUUISBMZCOT-UHFFFAOYSA-N
MW217.34 g/mol
LogP3.20
Rot. Bonds2

About [1-(2-methyl-1-benzothiophen-3-yl)cyclopropyl]methanamine

[1-(2-methyl-1-benzothiophen-3-yl)cyclopropyl]methanamine (PubChem CID 116987517) has the molecular formula C13H15NS and a molecular weight of 217.34 g/mol. Its IUPAC name is [1-(2-methyl-1-benzothiophen-3-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(2-methyl-1-benzothiophen-3-yl)cyclopropyl]methanamine
PubChem CID116987517
Molecular FormulaC13H15NS
Molecular Weight217.34 g/mol
Exact Mass217.09
IUPAC Name[1-(2-methyl-1-benzothiophen-3-yl)cyclopropyl]methanamine
SMILESCc1sc2ccccc2c1C1(CN)CC1
InChIInChI=1S/C13H15NS/c1-9-12(13(8-14)6-7-13)10-4-2-3-5-11(10)15-9/h2-5H,6-8,14H2,1H3
InChIKeyWAZNUUISBMZCOT-UHFFFAOYSA-N
XLogP3.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methyl-1-benzothiophen-3-yl)cyclopropyl]methanamine?
The IUPAC name of [1-(2-methyl-1-benzothiophen-3-yl)cyclopropyl]methanamine (CID 116987517) is [1-(2-methyl-1-benzothiophen-3-yl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(2-methyl-1-benzothiophen-3-yl)cyclopropyl]methanamine?
The canonical SMILES for [1-(2-methyl-1-benzothiophen-3-yl)cyclopropyl]methanamine is Cc1sc2ccccc2c1C1(CN)CC1.
What is the InChIKey of [1-(2-methyl-1-benzothiophen-3-yl)cyclopropyl]methanamine?
The InChIKey is WAZNUUISBMZCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NS/c1-9-12(13(8-14)6-7-13)10-4-2-3-5-11(10)15-9/h2-5H,6-8,14H2,1H3.
What are the key properties of [1-(2-methyl-1-benzothiophen-3-yl)cyclopropyl]methanamine?
[1-(2-methyl-1-benzothiophen-3-yl)cyclopropyl]methanamine has a molecular weight of 217.34 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methyl-1-benzothiophen-3-yl)cyclopropyl]methanamine is sourced from PubChem (CID 116987517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).