N-ethyl-2-methylsulfonyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine

C14H27NO3S — CID 105016797

IUPACN-ethyl-2-methylsulfonyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
SMILESCCNC(CS(C)(=O)=O)C1CCOC2(CCCC2)C1
InChIInChI=1S/C14H27NO3S/c1-3-15-13(11-19(2,16)17)12-6-9-18-14(10-12)7-4-5-8-14/h12-13,15H,3-11H2,1-2H3
InChIKeyZVEKRYRRTASAKW-UHFFFAOYSA-N
MW289.44 g/mol
LogP1.75
Rot. Bonds5

About N-ethyl-2-methylsulfonyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine

N-ethyl-2-methylsulfonyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine (PubChem CID 105016797) has the molecular formula C14H27NO3S and a molecular weight of 289.44 g/mol. Its IUPAC name is N-ethyl-2-methylsulfonyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-methylsulfonyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
PubChem CID105016797
Molecular FormulaC14H27NO3S
Molecular Weight289.44 g/mol
Exact Mass289.17
IUPAC NameN-ethyl-2-methylsulfonyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
SMILESCCNC(CS(C)(=O)=O)C1CCOC2(CCCC2)C1
InChIInChI=1S/C14H27NO3S/c1-3-15-13(11-19(2,16)17)12-6-9-18-14(10-12)7-4-5-8-14/h12-13,15H,3-11H2,1-2H3
InChIKeyZVEKRYRRTASAKW-UHFFFAOYSA-N
XLogP1.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-N-ethyl-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 105016179
N-ethyl-2-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79914184
N-ethyl-2-ethylsulfanyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79911321
N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-propan-2-yloxyethanamine
CID 105170234
N-ethyl-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
CID 79914798
2-cyclopentylsulfanyl-N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 79910261
N-ethyl-1-(6-oxaspiro[4.5]decan-9-yl)-2-propylsulfanylethanamine
CID 79912014
N-ethyl-3-methoxy-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79914734
N-ethyl-4-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
CID 79911149
N-ethyl-2-[(2-methylpropan-2-yl)oxy]-1-(1-oxaspiro[5.5]undecan-4-yl)ethanamine
CID 105169801
N-ethyl-4,4,4-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
CID 79952767
1-cyclopentyl-N-ethyl-2-methylsulfonylethanamine
CID 115601066

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methylsulfonyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine?
The IUPAC name of N-ethyl-2-methylsulfonyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine (CID 105016797) is N-ethyl-2-methylsulfonyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-methylsulfonyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine?
The canonical SMILES for N-ethyl-2-methylsulfonyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine is CCNC(CS(C)(=O)=O)C1CCOC2(CCCC2)C1.
What is the InChIKey of N-ethyl-2-methylsulfonyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine?
The InChIKey is ZVEKRYRRTASAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3S/c1-3-15-13(11-19(2,16)17)12-6-9-18-14(10-12)7-4-5-8-14/h12-13,15H,3-11H2,1-2H3.
What are the key properties of N-ethyl-2-methylsulfonyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine?
N-ethyl-2-methylsulfonyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine has a molecular weight of 289.44 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methylsulfonyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine is sourced from PubChem (CID 105016797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).