2-ethyl-2-N-(2-ethylsulfonylethyl)-2-N-propylbutane-1,2-diamine

C13H30N2O2S — CID 62007810

IUPAC2-ethyl-2-N-(2-ethylsulfonylethyl)-2-N-propylbutane-1,2-diamine
SMILESCCCN(CCS(=O)(=O)CC)C(CC)(CC)CN
InChIInChI=1S/C13H30N2O2S/c1-5-9-15(10-11-18(16,17)8-4)13(6-2,7-3)12-14/h5-12,14H2,1-4H3
InChIKeyQPCRATRAMAADLA-UHFFFAOYSA-N
MW278.46 g/mol
LogP1.65
Rot. Bonds10

About 2-ethyl-2-N-(2-ethylsulfonylethyl)-2-N-propylbutane-1,2-diamine

2-ethyl-2-N-(2-ethylsulfonylethyl)-2-N-propylbutane-1,2-diamine (PubChem CID 62007810) has the molecular formula C13H30N2O2S and a molecular weight of 278.46 g/mol. Its IUPAC name is 2-ethyl-2-N-(2-ethylsulfonylethyl)-2-N-propylbutane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-2-N-(2-ethylsulfonylethyl)-2-N-propylbutane-1,2-diamine
PubChem CID62007810
Molecular FormulaC13H30N2O2S
Molecular Weight278.46 g/mol
Exact Mass278.20
IUPAC Name2-ethyl-2-N-(2-ethylsulfonylethyl)-2-N-propylbutane-1,2-diamine
SMILESCCCN(CCS(=O)(=O)CC)C(CC)(CC)CN
InChIInChI=1S/C13H30N2O2S/c1-5-9-15(10-11-18(16,17)8-4)13(6-2,7-3)12-14/h5-12,14H2,1-4H3
InChIKeyQPCRATRAMAADLA-UHFFFAOYSA-N
XLogP1.65
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.46
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-N-(2-ethylsulfonylethyl)-2-N-propylbutane-1,2-diamine?
The IUPAC name of 2-ethyl-2-N-(2-ethylsulfonylethyl)-2-N-propylbutane-1,2-diamine (CID 62007810) is 2-ethyl-2-N-(2-ethylsulfonylethyl)-2-N-propylbutane-1,2-diamine.
What is the SMILES notation for 2-ethyl-2-N-(2-ethylsulfonylethyl)-2-N-propylbutane-1,2-diamine?
The canonical SMILES for 2-ethyl-2-N-(2-ethylsulfonylethyl)-2-N-propylbutane-1,2-diamine is CCCN(CCS(=O)(=O)CC)C(CC)(CC)CN.
What is the InChIKey of 2-ethyl-2-N-(2-ethylsulfonylethyl)-2-N-propylbutane-1,2-diamine?
The InChIKey is QPCRATRAMAADLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O2S/c1-5-9-15(10-11-18(16,17)8-4)13(6-2,7-3)12-14/h5-12,14H2,1-4H3.
What are the key properties of 2-ethyl-2-N-(2-ethylsulfonylethyl)-2-N-propylbutane-1,2-diamine?
2-ethyl-2-N-(2-ethylsulfonylethyl)-2-N-propylbutane-1,2-diamine has a molecular weight of 278.46 g/mol, XLogP of 1.65, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-N-(2-ethylsulfonylethyl)-2-N-propylbutane-1,2-diamine is sourced from PubChem (CID 62007810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).