2-ethyl-2-(methylamino)-5-(oxolan-2-ylmethylsulfanyl)pentan-1-ol

C13H27NO2S — CID 106811202

IUPAC2-ethyl-2-(methylamino)-5-(oxolan-2-ylmethylsulfanyl)pentan-1-ol
SMILESCCC(CO)(CCCSCC1CCCO1)NC
InChIInChI=1S/C13H27NO2S/c1-3-13(11-15,14-2)7-5-9-17-10-12-6-4-8-16-12/h12,14-15H,3-11H2,1-2H3
InChIKeyXIJVWWLLDDLZKY-UHFFFAOYSA-N
MW261.43 g/mol
LogP2.04
Rot. Bonds9

About 2-ethyl-2-(methylamino)-5-(oxolan-2-ylmethylsulfanyl)pentan-1-ol

2-ethyl-2-(methylamino)-5-(oxolan-2-ylmethylsulfanyl)pentan-1-ol (PubChem CID 106811202) has the molecular formula C13H27NO2S and a molecular weight of 261.43 g/mol. Its IUPAC name is 2-ethyl-2-(methylamino)-5-(oxolan-2-ylmethylsulfanyl)pentan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-(methylamino)-5-(oxolan-2-ylmethylsulfanyl)pentan-1-ol
PubChem CID106811202
Molecular FormulaC13H27NO2S
Molecular Weight261.43 g/mol
Exact Mass261.18
IUPAC Name2-ethyl-2-(methylamino)-5-(oxolan-2-ylmethylsulfanyl)pentan-1-ol
SMILESCCC(CO)(CCCSCC1CCCO1)NC
InChIInChI=1S/C13H27NO2S/c1-3-13(11-15,14-2)7-5-9-17-10-12-6-4-8-16-12/h12,14-15H,3-11H2,1-2H3
InChIKeyXIJVWWLLDDLZKY-UHFFFAOYSA-N
XLogP2.04
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(ethylamino)-2-methyl-5-(oxolan-2-ylmethylsulfanyl)pentan-1-ol
CID 106497569
2-methyl-6-(oxolan-2-ylmethylsulfanyl)-2-(propan-2-ylamino)hexan-1-ol
CID 106497589
2-ethyl-5-(oxolan-2-ylmethylsulfanyl)-2-(propan-2-ylamino)pentanoic acid
CID 106807669
methyl 2-methyl-2-(methylamino)-6-(oxolan-2-ylmethylsulfanyl)hexanoate
CID 106495524
2-(ethylamino)-4-(oxolan-2-ylmethylsulfanyl)butan-1-ol
CID 106497590
3-(oxolan-2-ylmethylsulfanyl)-N-propan-2-ylpropan-1-amine
CID 106495335
2-ethyl-2-(methylamino)-5-(2-methylbutylsulfanyl)pentan-1-ol
CID 107764831
2-(ethylamino)-2-methyl-4-(oxolan-2-ylmethylsulfanyl)butanoic acid
CID 106495705
(2S)-2-[[(2R)-oxolan-2-yl]methylsulfanylmethyl]oxolane
CID 129402242
5-(oxolan-2-ylmethylsulfanyl)pentan-1-amine
CID 106495008
10-(oxolan-2-ylmethylsulfanyl)decane-1-thiol
CID 177221877
methyl 2-methyl-6-(oxolan-2-ylmethylsulfanyl)-2-(propylamino)hexanoate
CID 106495708

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(methylamino)-5-(oxolan-2-ylmethylsulfanyl)pentan-1-ol?
The IUPAC name of 2-ethyl-2-(methylamino)-5-(oxolan-2-ylmethylsulfanyl)pentan-1-ol (CID 106811202) is 2-ethyl-2-(methylamino)-5-(oxolan-2-ylmethylsulfanyl)pentan-1-ol.
What is the SMILES notation for 2-ethyl-2-(methylamino)-5-(oxolan-2-ylmethylsulfanyl)pentan-1-ol?
The canonical SMILES for 2-ethyl-2-(methylamino)-5-(oxolan-2-ylmethylsulfanyl)pentan-1-ol is CCC(CO)(CCCSCC1CCCO1)NC.
What is the InChIKey of 2-ethyl-2-(methylamino)-5-(oxolan-2-ylmethylsulfanyl)pentan-1-ol?
The InChIKey is XIJVWWLLDDLZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2S/c1-3-13(11-15,14-2)7-5-9-17-10-12-6-4-8-16-12/h12,14-15H,3-11H2,1-2H3.
What are the key properties of 2-ethyl-2-(methylamino)-5-(oxolan-2-ylmethylsulfanyl)pentan-1-ol?
2-ethyl-2-(methylamino)-5-(oxolan-2-ylmethylsulfanyl)pentan-1-ol has a molecular weight of 261.43 g/mol, XLogP of 2.04, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(methylamino)-5-(oxolan-2-ylmethylsulfanyl)pentan-1-ol is sourced from PubChem (CID 106811202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).