4-ethoxy-N-ethyl-1-methylsulfonylpentan-3-amine

C10H23NO3S — CID 64534402

IUPAC4-ethoxy-N-ethyl-1-methylsulfonylpentan-3-amine
SMILESCCNC(CCS(C)(=O)=O)C(C)OCC
InChIInChI=1S/C10H23NO3S/c1-5-11-10(9(3)14-6-2)7-8-15(4,12)13/h9-11H,5-8H2,1-4H3
InChIKeyZUEVKCOIDOQQSY-UHFFFAOYSA-N
MW237.36 g/mol
LogP0.82
Rot. Bonds8

About 4-ethoxy-N-ethyl-1-methylsulfonylpentan-3-amine

4-ethoxy-N-ethyl-1-methylsulfonylpentan-3-amine (PubChem CID 64534402) has the molecular formula C10H23NO3S and a molecular weight of 237.36 g/mol. Its IUPAC name is 4-ethoxy-N-ethyl-1-methylsulfonylpentan-3-amine.

Molecular Properties

Compound Name4-ethoxy-N-ethyl-1-methylsulfonylpentan-3-amine
PubChem CID64534402
Molecular FormulaC10H23NO3S
Molecular Weight237.36 g/mol
Exact Mass237.14
IUPAC Name4-ethoxy-N-ethyl-1-methylsulfonylpentan-3-amine
SMILESCCNC(CCS(C)(=O)=O)C(C)OCC
InChIInChI=1S/C10H23NO3S/c1-5-11-10(9(3)14-6-2)7-8-15(4,12)13/h9-11H,5-8H2,1-4H3
InChIKeyZUEVKCOIDOQQSY-UHFFFAOYSA-N
XLogP0.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-ethyl-1-methylsulfonylpentan-3-amine?
The IUPAC name of 4-ethoxy-N-ethyl-1-methylsulfonylpentan-3-amine (CID 64534402) is 4-ethoxy-N-ethyl-1-methylsulfonylpentan-3-amine.
What is the SMILES notation for 4-ethoxy-N-ethyl-1-methylsulfonylpentan-3-amine?
The canonical SMILES for 4-ethoxy-N-ethyl-1-methylsulfonylpentan-3-amine is CCNC(CCS(C)(=O)=O)C(C)OCC.
What is the InChIKey of 4-ethoxy-N-ethyl-1-methylsulfonylpentan-3-amine?
The InChIKey is ZUEVKCOIDOQQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3S/c1-5-11-10(9(3)14-6-2)7-8-15(4,12)13/h9-11H,5-8H2,1-4H3.
What are the key properties of 4-ethoxy-N-ethyl-1-methylsulfonylpentan-3-amine?
4-ethoxy-N-ethyl-1-methylsulfonylpentan-3-amine has a molecular weight of 237.36 g/mol, XLogP of 0.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-ethyl-1-methylsulfonylpentan-3-amine is sourced from PubChem (CID 64534402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).