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

C12H13NS — CID 155546168

IUPAC(5-cyclopropyl-1-benzothiophen-2-yl)methanamine
SMILESNCc1cc2cc(C3CC3)ccc2s1
InChIInChI=1S/C12H13NS/c13-7-11-6-10-5-9(8-1-2-8)3-4-12(10)14-11/h3-6,8H,1-2,7,13H2
InChIKeyQJHGHOHJGZIVQD-UHFFFAOYSA-N
MW203.31 g/mol
LogP3.24
Rot. Bonds2

About (5-cyclopropyl-1-benzothiophen-2-yl)methanamine

(5-cyclopropyl-1-benzothiophen-2-yl)methanamine (PubChem CID 155546168) has the molecular formula C12H13NS and a molecular weight of 203.31 g/mol. Its IUPAC name is (5-cyclopropyl-1-benzothiophen-2-yl)methanamine.

Molecular Properties

Compound Name(5-cyclopropyl-1-benzothiophen-2-yl)methanamine
PubChem CID155546168
Molecular FormulaC12H13NS
Molecular Weight203.31 g/mol
Exact Mass203.08
IUPAC Name(5-cyclopropyl-1-benzothiophen-2-yl)methanamine
SMILESNCc1cc2cc(C3CC3)ccc2s1
InChIInChI=1S/C12H13NS/c13-7-11-6-10-5-9(8-1-2-8)3-4-12(10)14-11/h3-6,8H,1-2,7,13H2
InChIKeyQJHGHOHJGZIVQD-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 (5-cyclopropyl-1-benzothiophen-2-yl)methanamine?
The IUPAC name of (5-cyclopropyl-1-benzothiophen-2-yl)methanamine (CID 155546168) is (5-cyclopropyl-1-benzothiophen-2-yl)methanamine.
What is the SMILES notation for (5-cyclopropyl-1-benzothiophen-2-yl)methanamine?
The canonical SMILES for (5-cyclopropyl-1-benzothiophen-2-yl)methanamine is NCc1cc2cc(C3CC3)ccc2s1.
What is the InChIKey of (5-cyclopropyl-1-benzothiophen-2-yl)methanamine?
The InChIKey is QJHGHOHJGZIVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NS/c13-7-11-6-10-5-9(8-1-2-8)3-4-12(10)14-11/h3-6,8H,1-2,7,13H2.
What are the key properties of (5-cyclopropyl-1-benzothiophen-2-yl)methanamine?
(5-cyclopropyl-1-benzothiophen-2-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 (5-cyclopropyl-1-benzothiophen-2-yl)methanamine is sourced from PubChem (CID 155546168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).