3-[2-[ethyl(methyl)amino]ethylsulfanylmethyl]oxiran-2-ol

C8H17NO2S — CID 129154023

IUPAC3-[2-[ethyl(methyl)amino]ethylsulfanylmethyl]oxiran-2-ol
SMILESCCN(C)CCSCC1OC1O
InChIInChI=1S/C8H17NO2S/c1-3-9(2)4-5-12-6-7-8(10)11-7/h7-8,10H,3-6H2,1-2H3
InChIKeyXRDAAADMFMJARA-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.39
Rot. Bonds6

About 3-[2-[ethyl(methyl)amino]ethylsulfanylmethyl]oxiran-2-ol

3-[2-[ethyl(methyl)amino]ethylsulfanylmethyl]oxiran-2-ol (PubChem CID 129154023) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 3-[2-[ethyl(methyl)amino]ethylsulfanylmethyl]oxiran-2-ol.

Molecular Properties

Compound Name3-[2-[ethyl(methyl)amino]ethylsulfanylmethyl]oxiran-2-ol
PubChem CID129154023
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name3-[2-[ethyl(methyl)amino]ethylsulfanylmethyl]oxiran-2-ol
SMILESCCN(C)CCSCC1OC1O
InChIInChI=1S/C8H17NO2S/c1-3-9(2)4-5-12-6-7-8(10)11-7/h7-8,10H,3-6H2,1-2H3
InChIKeyXRDAAADMFMJARA-UHFFFAOYSA-N
XLogP0.39
TPSA36.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[ethyl(methyl)amino]ethylsulfanylmethyl]oxiran-2-ol?
The IUPAC name of 3-[2-[ethyl(methyl)amino]ethylsulfanylmethyl]oxiran-2-ol (CID 129154023) is 3-[2-[ethyl(methyl)amino]ethylsulfanylmethyl]oxiran-2-ol.
What is the SMILES notation for 3-[2-[ethyl(methyl)amino]ethylsulfanylmethyl]oxiran-2-ol?
The canonical SMILES for 3-[2-[ethyl(methyl)amino]ethylsulfanylmethyl]oxiran-2-ol is CCN(C)CCSCC1OC1O.
What is the InChIKey of 3-[2-[ethyl(methyl)amino]ethylsulfanylmethyl]oxiran-2-ol?
The InChIKey is XRDAAADMFMJARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-3-9(2)4-5-12-6-7-8(10)11-7/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 3-[2-[ethyl(methyl)amino]ethylsulfanylmethyl]oxiran-2-ol?
3-[2-[ethyl(methyl)amino]ethylsulfanylmethyl]oxiran-2-ol has a molecular weight of 191.30 g/mol, XLogP of 0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[ethyl(methyl)amino]ethylsulfanylmethyl]oxiran-2-ol is sourced from PubChem (CID 129154023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).