3-ethoxy-N-(4-methylsulfanylbutan-2-yl)spiro[3.4]octan-1-amine

C15H29NOS — CID 113352135

IUPAC3-ethoxy-N-(4-methylsulfanylbutan-2-yl)spiro[3.4]octan-1-amine
SMILESCCOC1CC(NC(C)CCSC)C12CCCC2
InChIInChI=1S/C15H29NOS/c1-4-17-14-11-13(15(14)8-5-6-9-15)16-12(2)7-10-18-3/h12-14,16H,4-11H2,1-3H3
InChIKeyPUWKUXGOSGGIDY-UHFFFAOYSA-N
MW271.47 g/mol
LogP3.46
Rot. Bonds7

About 3-ethoxy-N-(4-methylsulfanylbutan-2-yl)spiro[3.4]octan-1-amine

3-ethoxy-N-(4-methylsulfanylbutan-2-yl)spiro[3.4]octan-1-amine (PubChem CID 113352135) has the molecular formula C15H29NOS and a molecular weight of 271.47 g/mol. Its IUPAC name is 3-ethoxy-N-(4-methylsulfanylbutan-2-yl)spiro[3.4]octan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(4-methylsulfanylbutan-2-yl)spiro[3.4]octan-1-amine
PubChem CID113352135
Molecular FormulaC15H29NOS
Molecular Weight271.47 g/mol
Exact Mass271.20
IUPAC Name3-ethoxy-N-(4-methylsulfanylbutan-2-yl)spiro[3.4]octan-1-amine
SMILESCCOC1CC(NC(C)CCSC)C12CCCC2
InChIInChI=1S/C15H29NOS/c1-4-17-14-11-13(15(14)8-5-6-9-15)16-12(2)7-10-18-3/h12-14,16H,4-11H2,1-3H3
InChIKeyPUWKUXGOSGGIDY-UHFFFAOYSA-N
XLogP3.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.47
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.4]octan-1-amine
CID 64863098
3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.5]nonan-1-amine
CID 65167855
3-N-(3-ethoxyspiro[3.5]nonan-1-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 65167790
(2R)-2-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-1-ol
CID 114987255
3-ethoxy-N-(4-methylpentan-2-yl)spiro[3.3]heptan-1-amine
CID 65294896
3-ethoxy-N-(1-methoxypropan-2-yl)spiro[3.5]nonan-1-amine
CID 65170115
3-ethoxy-N-(1-methoxypropan-2-yl)spiro[3.3]heptan-1-amine
CID 65295225
N-(1-cyclobutylethyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 115725116
N-(1,1-dimethoxypropan-2-yl)-3-ethoxyspiro[3.4]octan-1-amine
CID 64865425
N-[(1R)-1-cyclopentylethyl]-3-ethoxyspiro[3.5]nonan-1-amine
CID 81395147
3-ethoxy-N-hexan-3-ylspiro[3.5]nonan-1-amine
CID 65169180
N-(1-cyclobutylethyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 115723734

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(4-methylsulfanylbutan-2-yl)spiro[3.4]octan-1-amine?
The IUPAC name of 3-ethoxy-N-(4-methylsulfanylbutan-2-yl)spiro[3.4]octan-1-amine (CID 113352135) is 3-ethoxy-N-(4-methylsulfanylbutan-2-yl)spiro[3.4]octan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(4-methylsulfanylbutan-2-yl)spiro[3.4]octan-1-amine?
The canonical SMILES for 3-ethoxy-N-(4-methylsulfanylbutan-2-yl)spiro[3.4]octan-1-amine is CCOC1CC(NC(C)CCSC)C12CCCC2.
What is the InChIKey of 3-ethoxy-N-(4-methylsulfanylbutan-2-yl)spiro[3.4]octan-1-amine?
The InChIKey is PUWKUXGOSGGIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NOS/c1-4-17-14-11-13(15(14)8-5-6-9-15)16-12(2)7-10-18-3/h12-14,16H,4-11H2,1-3H3.
What are the key properties of 3-ethoxy-N-(4-methylsulfanylbutan-2-yl)spiro[3.4]octan-1-amine?
3-ethoxy-N-(4-methylsulfanylbutan-2-yl)spiro[3.4]octan-1-amine has a molecular weight of 271.47 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(4-methylsulfanylbutan-2-yl)spiro[3.4]octan-1-amine is sourced from PubChem (CID 113352135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).