1-(ethylamino)-3-(oxan-4-ylsulfanyl)propan-2-ol

C10H21NO2S — CID 62995006

IUPAC1-(ethylamino)-3-(oxan-4-ylsulfanyl)propan-2-ol
SMILESCCNCC(O)CSC1CCOCC1
InChIInChI=1S/C10H21NO2S/c1-2-11-7-9(12)8-14-10-3-5-13-6-4-10/h9-12H,2-8H2,1H3
InChIKeyOCLGOGTYEDPQSE-UHFFFAOYSA-N
MW219.35 g/mol
LogP0.87
Rot. Bonds6

About 1-(ethylamino)-3-(oxan-4-ylsulfanyl)propan-2-ol

1-(ethylamino)-3-(oxan-4-ylsulfanyl)propan-2-ol (PubChem CID 62995006) has the molecular formula C10H21NO2S and a molecular weight of 219.35 g/mol. Its IUPAC name is 1-(ethylamino)-3-(oxan-4-ylsulfanyl)propan-2-ol.

Molecular Properties

Compound Name1-(ethylamino)-3-(oxan-4-ylsulfanyl)propan-2-ol
PubChem CID62995006
Molecular FormulaC10H21NO2S
Molecular Weight219.35 g/mol
Exact Mass219.13
IUPAC Name1-(ethylamino)-3-(oxan-4-ylsulfanyl)propan-2-ol
SMILESCCNCC(O)CSC1CCOCC1
InChIInChI=1S/C10H21NO2S/c1-2-11-7-9(12)8-14-10-3-5-13-6-4-10/h9-12H,2-8H2,1H3
InChIKeyOCLGOGTYEDPQSE-UHFFFAOYSA-N
XLogP0.87
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-3-(oxan-4-ylsulfanyl)propan-2-ol?
The IUPAC name of 1-(ethylamino)-3-(oxan-4-ylsulfanyl)propan-2-ol (CID 62995006) is 1-(ethylamino)-3-(oxan-4-ylsulfanyl)propan-2-ol.
What is the SMILES notation for 1-(ethylamino)-3-(oxan-4-ylsulfanyl)propan-2-ol?
The canonical SMILES for 1-(ethylamino)-3-(oxan-4-ylsulfanyl)propan-2-ol is CCNCC(O)CSC1CCOCC1.
What is the InChIKey of 1-(ethylamino)-3-(oxan-4-ylsulfanyl)propan-2-ol?
The InChIKey is OCLGOGTYEDPQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2S/c1-2-11-7-9(12)8-14-10-3-5-13-6-4-10/h9-12H,2-8H2,1H3.
What are the key properties of 1-(ethylamino)-3-(oxan-4-ylsulfanyl)propan-2-ol?
1-(ethylamino)-3-(oxan-4-ylsulfanyl)propan-2-ol has a molecular weight of 219.35 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-(oxan-4-ylsulfanyl)propan-2-ol is sourced from PubChem (CID 62995006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).