2-ethoxy-3-(2-methylsulfonylethylsulfonyl)propan-1-amine

C8H19NO5S2 — CID 64696553

IUPAC2-ethoxy-3-(2-methylsulfonylethylsulfonyl)propan-1-amine
SMILESCCOC(CN)CS(=O)(=O)CCS(C)(=O)=O
InChIInChI=1S/C8H19NO5S2/c1-3-14-8(6-9)7-16(12,13)5-4-15(2,10)11/h8H,3-7,9H2,1-2H3
InChIKeyVPUXIRLITZVHKU-UHFFFAOYSA-N
MW273.38 g/mol
LogP-1.19
Rot. Bonds8

About 2-ethoxy-3-(2-methylsulfonylethylsulfonyl)propan-1-amine

2-ethoxy-3-(2-methylsulfonylethylsulfonyl)propan-1-amine (PubChem CID 64696553) has the molecular formula C8H19NO5S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-ethoxy-3-(2-methylsulfonylethylsulfonyl)propan-1-amine.

Molecular Properties

Compound Name2-ethoxy-3-(2-methylsulfonylethylsulfonyl)propan-1-amine
PubChem CID64696553
Molecular FormulaC8H19NO5S2
Molecular Weight273.38 g/mol
Exact Mass273.07
IUPAC Name2-ethoxy-3-(2-methylsulfonylethylsulfonyl)propan-1-amine
SMILESCCOC(CN)CS(=O)(=O)CCS(C)(=O)=O
InChIInChI=1S/C8H19NO5S2/c1-3-14-8(6-9)7-16(12,13)5-4-15(2,10)11/h8H,3-7,9H2,1-2H3
InChIKeyVPUXIRLITZVHKU-UHFFFAOYSA-N
XLogP-1.19
TPSA103.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 5-1.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-ethoxy-3-(2-methylsulfonylethylsulfonyl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(2-methylsulfonylethylsulfonyl)propan-1-amine?
The IUPAC name of 2-ethoxy-3-(2-methylsulfonylethylsulfonyl)propan-1-amine (CID 64696553) is 2-ethoxy-3-(2-methylsulfonylethylsulfonyl)propan-1-amine.
What is the SMILES notation for 2-ethoxy-3-(2-methylsulfonylethylsulfonyl)propan-1-amine?
The canonical SMILES for 2-ethoxy-3-(2-methylsulfonylethylsulfonyl)propan-1-amine is CCOC(CN)CS(=O)(=O)CCS(C)(=O)=O.
What is the InChIKey of 2-ethoxy-3-(2-methylsulfonylethylsulfonyl)propan-1-amine?
The InChIKey is VPUXIRLITZVHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO5S2/c1-3-14-8(6-9)7-16(12,13)5-4-15(2,10)11/h8H,3-7,9H2,1-2H3.
What are the key properties of 2-ethoxy-3-(2-methylsulfonylethylsulfonyl)propan-1-amine?
2-ethoxy-3-(2-methylsulfonylethylsulfonyl)propan-1-amine has a molecular weight of 273.38 g/mol, XLogP of -1.19, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(2-methylsulfonylethylsulfonyl)propan-1-amine is sourced from PubChem (CID 64696553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).