(2-cyclopropyl-1-benzothiophen-6-yl)methanamine

C12H13NS — CID 84671842

IUPAC(2-cyclopropyl-1-benzothiophen-6-yl)methanamine
SMILESNCc1ccc2cc(C3CC3)sc2c1
InChIInChI=1S/C12H13NS/c13-7-8-1-2-10-6-12(9-3-4-9)14-11(10)5-8/h1-2,5-6,9H,3-4,7,13H2
InChIKeyFPKMCFFBKGIFPF-UHFFFAOYSA-N
MW203.31 g/mol
LogP3.24
Rot. Bonds2

About (2-cyclopropyl-1-benzothiophen-6-yl)methanamine

(2-cyclopropyl-1-benzothiophen-6-yl)methanamine (PubChem CID 84671842) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is (2-cyclopropyl-1-benzothiophen-6-yl)methanamine.

Molecular Properties

Compound Name(2-cyclopropyl-1-benzothiophen-6-yl)methanamine
PubChem CID84671842
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC Name(2-cyclopropyl-1-benzothiophen-6-yl)methanamine
SMILESNCc1ccc2cc(C3CC3)sc2c1
InChIInChI=1S/C12H13NS/c13-7-8-1-2-10-6-12(9-3-4-9)14-11(10)5-8/h1-2,5-6,9H,3-4,7,13H2
InChIKeyFPKMCFFBKGIFPF-UHFFFAOYSA-N
XLogP3.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyl-1-benzothiophen-6-yl)methanamine?
The IUPAC name of (2-cyclopropyl-1-benzothiophen-6-yl)methanamine (CID 84671842) is (2-cyclopropyl-1-benzothiophen-6-yl)methanamine.
What is the SMILES notation for (2-cyclopropyl-1-benzothiophen-6-yl)methanamine?
The canonical SMILES for (2-cyclopropyl-1-benzothiophen-6-yl)methanamine is NCc1ccc2cc(C3CC3)sc2c1.
What is the InChIKey of (2-cyclopropyl-1-benzothiophen-6-yl)methanamine?
The InChIKey is FPKMCFFBKGIFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS/c13-7-8-1-2-10-6-12(9-3-4-9)14-11(10)5-8/h1-2,5-6,9H,3-4,7,13H2.
What are the key properties of (2-cyclopropyl-1-benzothiophen-6-yl)methanamine?
(2-cyclopropyl-1-benzothiophen-6-yl)methanamine has a molecular weight of 203.31 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyl-1-benzothiophen-6-yl)methanamine is sourced from PubChem (CID 84671842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).