7-bromo-N-cyclopropyl-2,3-dihydro-1-benzothiophen-3-amine

C11H12BrNS — CID 43539443

IUPAC7-bromo-N-cyclopropyl-2,3-dihydro-1-benzothiophen-3-amine
SMILESBrc1cccc2c1SCC2NC1CC1
InChIInChI=1S/C11H12BrNS/c12-9-3-1-2-8-10(6-14-11(8)9)13-7-4-5-7/h1-3,7,10,13H,4-6H2
InChIKeyUTNJHDOAJREBIK-UHFFFAOYSA-N
MW270.19 g/mol
LogP3.35
Rot. Bonds2

About 7-bromo-N-cyclopropyl-2,3-dihydro-1-benzothiophen-3-amine

7-bromo-N-cyclopropyl-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 43539443) has the molecular formula C11H12BrNS and a molecular weight of 270.19 g/mol. Its IUPAC name is 7-bromo-N-cyclopropyl-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound Name7-bromo-N-cyclopropyl-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID43539443
Molecular FormulaC11H12BrNS
Molecular Weight270.19 g/mol
Exact Mass268.99
IUPAC Name7-bromo-N-cyclopropyl-2,3-dihydro-1-benzothiophen-3-amine
SMILESBrc1cccc2c1SCC2NC1CC1
InChIInChI=1S/C11H12BrNS/c12-9-3-1-2-8-10(6-14-11(8)9)13-7-4-5-7/h1-3,7,10,13H,4-6H2
InChIKeyUTNJHDOAJREBIK-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.19
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-cyclopropyl-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of 7-bromo-N-cyclopropyl-2,3-dihydro-1-benzothiophen-3-amine (CID 43539443) is 7-bromo-N-cyclopropyl-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for 7-bromo-N-cyclopropyl-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for 7-bromo-N-cyclopropyl-2,3-dihydro-1-benzothiophen-3-amine is Brc1cccc2c1SCC2NC1CC1.
What is the InChIKey of 7-bromo-N-cyclopropyl-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is UTNJHDOAJREBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNS/c12-9-3-1-2-8-10(6-14-11(8)9)13-7-4-5-7/h1-3,7,10,13H,4-6H2.
What are the key properties of 7-bromo-N-cyclopropyl-2,3-dihydro-1-benzothiophen-3-amine?
7-bromo-N-cyclopropyl-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 270.19 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-cyclopropyl-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 43539443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).