spiro[3H-1-benzothiophene-2,1'-cyclopropane]-3-ylmethanamine

C11H13NS — CID 83907444

IUPACspiro[3H-1-benzothiophene-2,1'-cyclopropane]-3-ylmethanamine
SMILESNCC1c2ccccc2SC12CC2
InChIInChI=1S/C11H13NS/c12-7-9-8-3-1-2-4-10(8)13-11(9)5-6-11/h1-4,9H,5-7,12H2
InChIKeyZQAYCSUOIKTIRR-UHFFFAOYSA-N
MW191.30 g/mol
LogP2.37
Rot. Bonds1

About spiro[3H-1-benzothiophene-2,1'-cyclopropane]-3-ylmethanamine

spiro[3H-1-benzothiophene-2,1'-cyclopropane]-3-ylmethanamine (PubChem CID 83907444) has the molecular formula C11H13NS and a molecular weight of 191.30 g/mol. Its IUPAC name is spiro[3H-1-benzothiophene-2,1'-cyclopropane]-3-ylmethanamine.

Molecular Properties

Compound Namespiro[3H-1-benzothiophene-2,1'-cyclopropane]-3-ylmethanamine
PubChem CID83907444
Molecular FormulaC11H13NS
Molecular Weight191.30 g/mol
Exact Mass191.08
IUPAC Namespiro[3H-1-benzothiophene-2,1'-cyclopropane]-3-ylmethanamine
SMILESNCC1c2ccccc2SC12CC2
InChIInChI=1S/C11H13NS/c12-7-9-8-3-1-2-4-10(8)13-11(9)5-6-11/h1-4,9H,5-7,12H2
InChIKeyZQAYCSUOIKTIRR-UHFFFAOYSA-N
XLogP2.37
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[3H-1-benzothiophene-2,1'-cyclopropane]-3-ylmethanamine?
The IUPAC name of spiro[3H-1-benzothiophene-2,1'-cyclopropane]-3-ylmethanamine (CID 83907444) is spiro[3H-1-benzothiophene-2,1'-cyclopropane]-3-ylmethanamine.
What is the SMILES notation for spiro[3H-1-benzothiophene-2,1'-cyclopropane]-3-ylmethanamine?
The canonical SMILES for spiro[3H-1-benzothiophene-2,1'-cyclopropane]-3-ylmethanamine is NCC1c2ccccc2SC12CC2.
What is the InChIKey of spiro[3H-1-benzothiophene-2,1'-cyclopropane]-3-ylmethanamine?
The InChIKey is ZQAYCSUOIKTIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NS/c12-7-9-8-3-1-2-4-10(8)13-11(9)5-6-11/h1-4,9H,5-7,12H2.
What are the key properties of spiro[3H-1-benzothiophene-2,1'-cyclopropane]-3-ylmethanamine?
spiro[3H-1-benzothiophene-2,1'-cyclopropane]-3-ylmethanamine has a molecular weight of 191.30 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3H-1-benzothiophene-2,1'-cyclopropane]-3-ylmethanamine is sourced from PubChem (CID 83907444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).