3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine

C15H23NOS — CID 66351552

IUPAC3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine
SMILESNC1CC(OCc2cccs2)C12CCCCCC2
InChIInChI=1S/C15H23NOS/c16-13-10-14(17-11-12-6-5-9-18-12)15(13)7-3-1-2-4-8-15/h5-6,9,13-14H,1-4,7-8,10-11,16H2
InChIKeyMSTXLEIPTQCMJX-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.70
Rot. Bonds3

About 3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine

3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine (PubChem CID 66351552) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is 3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine.

Molecular Properties

Compound Name3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine
PubChem CID66351552
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine
SMILESNC1CC(OCc2cccs2)C12CCCCCC2
InChIInChI=1S/C15H23NOS/c16-13-10-14(17-11-12-6-5-9-18-12)15(13)7-3-1-2-4-8-15/h5-6,9,13-14H,1-4,7-8,10-11,16H2
InChIKeyMSTXLEIPTQCMJX-UHFFFAOYSA-N
XLogP3.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine?
The IUPAC name of 3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine (CID 66351552) is 3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine.
What is the SMILES notation for 3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine?
The canonical SMILES for 3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine is NC1CC(OCc2cccs2)C12CCCCCC2.
What is the InChIKey of 3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine?
The InChIKey is MSTXLEIPTQCMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c16-13-10-14(17-11-12-6-5-9-18-12)15(13)7-3-1-2-4-8-15/h5-6,9,13-14H,1-4,7-8,10-11,16H2.
What are the key properties of 3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine?
3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine has a molecular weight of 265.42 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiophen-2-ylmethoxy)spiro[3.6]decan-1-amine is sourced from PubChem (CID 66351552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).