2-(ethylamino)-4-(oxolan-2-ylmethylsulfanyl)butan-1-ol

C11H23NO2S — CID 106497590

IUPAC2-(ethylamino)-4-(oxolan-2-ylmethylsulfanyl)butan-1-ol
SMILESCCNC(CO)CCSCC1CCCO1
InChIInChI=1S/C11H23NO2S/c1-2-12-10(8-13)5-7-15-9-11-4-3-6-14-11/h10-13H,2-9H2,1H3
InChIKeyZEZAIRPTFPPWMU-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.26
Rot. Bonds8

About 2-(ethylamino)-4-(oxolan-2-ylmethylsulfanyl)butan-1-ol

2-(ethylamino)-4-(oxolan-2-ylmethylsulfanyl)butan-1-ol (PubChem CID 106497590) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 2-(ethylamino)-4-(oxolan-2-ylmethylsulfanyl)butan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-4-(oxolan-2-ylmethylsulfanyl)butan-1-ol
PubChem CID106497590
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name2-(ethylamino)-4-(oxolan-2-ylmethylsulfanyl)butan-1-ol
SMILESCCNC(CO)CCSCC1CCCO1
InChIInChI=1S/C11H23NO2S/c1-2-12-10(8-13)5-7-15-9-11-4-3-6-14-11/h10-13H,2-9H2,1H3
InChIKeyZEZAIRPTFPPWMU-UHFFFAOYSA-N
XLogP1.26
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.26
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-(cyclopropylamino)-4-(oxolan-2-ylmethylsulfanyl)butan-1-ol
CID 106497539
2-(ethylamino)-4-(oxolan-2-ylmethylsulfanyl)butanamide
CID 106495560
2-(ethylamino)-4-[methyl(oxolan-2-ylmethyl)amino]butan-1-ol
CID 64825351
3-(oxolan-2-ylmethylsulfanyl)-N-propan-2-ylpropan-1-amine
CID 106495335
N-[2-(oxolan-2-ylmethylsulfanyl)ethyl]pentan-2-amine
CID 106495839
2-(ethylamino)-2-methyl-5-(oxolan-2-ylmethylsulfanyl)pentan-1-ol
CID 106497569
N-ethyl-1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine
CID 65164506
(2S)-2-(oxolan-2-ylmethylamino)butan-1-ol
CID 104980595
N-ethyl-1-(2-methylpropylsulfanyl)-4-(oxolan-2-yl)butan-2-amine
CID 65164626
2-ethyl-2-(methylamino)-5-(oxolan-2-ylmethylsulfanyl)pentan-1-ol
CID 106811202
methyl 2-(methylamino)-4-(oxolan-2-ylmethylsulfanyl)butanoate
CID 106495709
N-ethyl-1-(oxolan-2-yl)butan-2-amine
CID 60820573

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-(oxolan-2-ylmethylsulfanyl)butan-1-ol?
The IUPAC name of 2-(ethylamino)-4-(oxolan-2-ylmethylsulfanyl)butan-1-ol (CID 106497590) is 2-(ethylamino)-4-(oxolan-2-ylmethylsulfanyl)butan-1-ol.
What is the SMILES notation for 2-(ethylamino)-4-(oxolan-2-ylmethylsulfanyl)butan-1-ol?
The canonical SMILES for 2-(ethylamino)-4-(oxolan-2-ylmethylsulfanyl)butan-1-ol is CCNC(CO)CCSCC1CCCO1.
What is the InChIKey of 2-(ethylamino)-4-(oxolan-2-ylmethylsulfanyl)butan-1-ol?
The InChIKey is ZEZAIRPTFPPWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-2-12-10(8-13)5-7-15-9-11-4-3-6-14-11/h10-13H,2-9H2,1H3.
What are the key properties of 2-(ethylamino)-4-(oxolan-2-ylmethylsulfanyl)butan-1-ol?
2-(ethylamino)-4-(oxolan-2-ylmethylsulfanyl)butan-1-ol has a molecular weight of 233.38 g/mol, XLogP of 1.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-(oxolan-2-ylmethylsulfanyl)butan-1-ol is sourced from PubChem (CID 106497590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).