N-(3-ethoxyspiro[3.4]octan-1-yl)thiophen-3-amine

C14H21NOS — CID 66351655

IUPACN-(3-ethoxyspiro[3.4]octan-1-yl)thiophen-3-amine
SMILESCCOC1CC(Nc2ccsc2)C12CCCC2
InChIInChI=1S/C14H21NOS/c1-2-16-13-9-12(14(13)6-3-4-7-14)15-11-5-8-17-10-11/h5,8,10,12-13,15H,2-4,6-7,9H2,1H3
InChIKeyVYKVCFFVOBZJNG-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.90
Rot. Bonds4

About N-(3-ethoxyspiro[3.4]octan-1-yl)thiophen-3-amine

N-(3-ethoxyspiro[3.4]octan-1-yl)thiophen-3-amine (PubChem CID 66351655) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is N-(3-ethoxyspiro[3.4]octan-1-yl)thiophen-3-amine.

Molecular Properties

Compound NameN-(3-ethoxyspiro[3.4]octan-1-yl)thiophen-3-amine
PubChem CID66351655
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC NameN-(3-ethoxyspiro[3.4]octan-1-yl)thiophen-3-amine
SMILESCCOC1CC(Nc2ccsc2)C12CCCC2
InChIInChI=1S/C14H21NOS/c1-2-16-13-9-12(14(13)6-3-4-7-14)15-11-5-8-17-10-11/h5,8,10,12-13,15H,2-4,6-7,9H2,1H3
InChIKeyVYKVCFFVOBZJNG-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyspiro[3.4]octan-1-yl)thiophen-3-amine?
The IUPAC name of N-(3-ethoxyspiro[3.4]octan-1-yl)thiophen-3-amine (CID 66351655) is N-(3-ethoxyspiro[3.4]octan-1-yl)thiophen-3-amine.
What is the SMILES notation for N-(3-ethoxyspiro[3.4]octan-1-yl)thiophen-3-amine?
The canonical SMILES for N-(3-ethoxyspiro[3.4]octan-1-yl)thiophen-3-amine is CCOC1CC(Nc2ccsc2)C12CCCC2.
What is the InChIKey of N-(3-ethoxyspiro[3.4]octan-1-yl)thiophen-3-amine?
The InChIKey is VYKVCFFVOBZJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-2-16-13-9-12(14(13)6-3-4-7-14)15-11-5-8-17-10-11/h5,8,10,12-13,15H,2-4,6-7,9H2,1H3.
What are the key properties of N-(3-ethoxyspiro[3.4]octan-1-yl)thiophen-3-amine?
N-(3-ethoxyspiro[3.4]octan-1-yl)thiophen-3-amine has a molecular weight of 251.39 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyspiro[3.4]octan-1-yl)thiophen-3-amine is sourced from PubChem (CID 66351655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).