2-ethoxy-4-(oxan-4-ylsulfanyl)butan-1-amine

C11H23NO2S — CID 63072027

IUPAC2-ethoxy-4-(oxan-4-ylsulfanyl)butan-1-amine
SMILESCCOC(CN)CCSC1CCOCC1
InChIInChI=1S/C11H23NO2S/c1-2-14-10(9-12)5-8-15-11-3-6-13-7-4-11/h10-11H,2-9,12H2,1H3
InChIKeyHIQNJCFUURMVAA-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.65
Rot. Bonds7

About 2-ethoxy-4-(oxan-4-ylsulfanyl)butan-1-amine

2-ethoxy-4-(oxan-4-ylsulfanyl)butan-1-amine (PubChem CID 63072027) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 2-ethoxy-4-(oxan-4-ylsulfanyl)butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-4-(oxan-4-ylsulfanyl)butan-1-amine
PubChem CID63072027
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name2-ethoxy-4-(oxan-4-ylsulfanyl)butan-1-amine
SMILESCCOC(CN)CCSC1CCOCC1
InChIInChI=1S/C11H23NO2S/c1-2-14-10(9-12)5-8-15-11-3-6-13-7-4-11/h10-11H,2-9,12H2,1H3
InChIKeyHIQNJCFUURMVAA-UHFFFAOYSA-N
XLogP1.65
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Oxan-2-ylmethylsulfanyl)ethanamine
CID 43249686
5-(Oxan-4-ylsulfanyl)pentan-1-amine
CID 62996664
3-(Oxan-4-ylsulfanyl)propan-1-amine
CID 62996769
4-(Oxan-4-ylsulfanyl)butan-1-amine
CID 62996820
3-(Oxan-4-ylsulfanyl)butan-1-amine
CID 62996826
3-(Oxan-4-ylsulfanyl)pentan-1-amine
CID 62996993
2-(Oxan-4-ylsulfanyl)propan-1-amine
CID 62996998
2-(Oxan-4-ylsulfanyl)butan-1-amine
CID 62996999
1-Amino-3-(oxan-4-ylsulfanyl)propan-2-ol
CID 62997508
3-Butylsulfanyl-2-ethoxypropan-1-amine
CID 63071410
2-Ethoxy-4-(2-methoxyethylsulfanyl)butan-1-amine
CID 63071466
3-Cyclohexylsulfanyl-2-ethoxypropan-1-amine
CID 63071606

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(oxan-4-ylsulfanyl)butan-1-amine?
The IUPAC name of 2-ethoxy-4-(oxan-4-ylsulfanyl)butan-1-amine (CID 63072027) is 2-ethoxy-4-(oxan-4-ylsulfanyl)butan-1-amine.
What is the SMILES notation for 2-ethoxy-4-(oxan-4-ylsulfanyl)butan-1-amine?
The canonical SMILES for 2-ethoxy-4-(oxan-4-ylsulfanyl)butan-1-amine is CCOC(CN)CCSC1CCOCC1.
What is the InChIKey of 2-ethoxy-4-(oxan-4-ylsulfanyl)butan-1-amine?
The InChIKey is HIQNJCFUURMVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-2-14-10(9-12)5-8-15-11-3-6-13-7-4-11/h10-11H,2-9,12H2,1H3.
What are the key properties of 2-ethoxy-4-(oxan-4-ylsulfanyl)butan-1-amine?
2-ethoxy-4-(oxan-4-ylsulfanyl)butan-1-amine has a molecular weight of 233.38 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(oxan-4-ylsulfanyl)butan-1-amine is sourced from PubChem (CID 63072027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).