spiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-ylmethanamine

C10H13NOS — CID 165391214

IUPACspiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-ylmethanamine
SMILESNCC1OCC2(CC2)c2ccsc21
InChIInChI=1S/C10H13NOS/c11-5-8-9-7(1-4-13-9)10(2-3-10)6-12-8/h1,4,8H,2-3,5-6,11H2
InChIKeyZJWIZYNKXKOKMU-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.81
Rot. Bonds1

About spiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-ylmethanamine

spiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-ylmethanamine (PubChem CID 165391214) has the molecular formula C10H13NOS and a molecular weight of 195.29 g/mol. Its IUPAC name is spiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-ylmethanamine.

Molecular Properties

Compound Namespiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-ylmethanamine
PubChem CID165391214
Molecular FormulaC10H13NOS
Molecular Weight195.29 g/mol
Exact Mass195.07
IUPAC Namespiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-ylmethanamine
SMILESNCC1OCC2(CC2)c2ccsc21
InChIInChI=1S/C10H13NOS/c11-5-8-9-7(1-4-13-9)10(2-3-10)6-12-8/h1,4,8H,2-3,5-6,11H2
InChIKeyZJWIZYNKXKOKMU-UHFFFAOYSA-N
XLogP1.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-ylmethanamine?
The IUPAC name of spiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-ylmethanamine (CID 165391214) is spiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-ylmethanamine.
What is the SMILES notation for spiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-ylmethanamine?
The canonical SMILES for spiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-ylmethanamine is NCC1OCC2(CC2)c2ccsc21.
What is the InChIKey of spiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-ylmethanamine?
The InChIKey is ZJWIZYNKXKOKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NOS/c11-5-8-9-7(1-4-13-9)10(2-3-10)6-12-8/h1,4,8H,2-3,5-6,11H2.
What are the key properties of spiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-ylmethanamine?
spiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-ylmethanamine has a molecular weight of 195.29 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[5,7-dihydrothieno[2,3-c]pyran-4,1'-cyclopropane]-7-ylmethanamine is sourced from PubChem (CID 165391214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).