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

C10H24N2O2S — CID 62010164

IUPAC2-N-ethyl-2-N-(2-ethylsulfonylethyl)-2-methylpropane-1,2-diamine
SMILESCCN(CCS(=O)(=O)CC)C(C)(C)CN
InChIInChI=1S/C10H24N2O2S/c1-5-12(10(3,4)9-11)7-8-15(13,14)6-2/h5-9,11H2,1-4H3
InChIKeyLXHDHRYVIAXPJT-UHFFFAOYSA-N
MW236.38 g/mol
LogP0.48
Rot. Bonds7

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

2-N-ethyl-2-N-(2-ethylsulfonylethyl)-2-methylpropane-1,2-diamine (PubChem CID 62010164) has the molecular formula C10H24N2O2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 2-N-ethyl-2-N-(2-ethylsulfonylethyl)-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-(2-ethylsulfonylethyl)-2-methylpropane-1,2-diamine
PubChem CID62010164
Molecular FormulaC10H24N2O2S
Molecular Weight236.38 g/mol
Exact Mass236.16
IUPAC Name2-N-ethyl-2-N-(2-ethylsulfonylethyl)-2-methylpropane-1,2-diamine
SMILESCCN(CCS(=O)(=O)CC)C(C)(C)CN
InChIInChI=1S/C10H24N2O2S/c1-5-12(10(3,4)9-11)7-8-15(13,14)6-2/h5-9,11H2,1-4H3
InChIKeyLXHDHRYVIAXPJT-UHFFFAOYSA-N
XLogP0.48
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-(2-ethylsulfonylethyl)-2-methylpropane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-(2-ethylsulfonylethyl)-2-methylpropane-1,2-diamine (CID 62010164) is 2-N-ethyl-2-N-(2-ethylsulfonylethyl)-2-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-(2-ethylsulfonylethyl)-2-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-(2-ethylsulfonylethyl)-2-methylpropane-1,2-diamine is CCN(CCS(=O)(=O)CC)C(C)(C)CN.
What is the InChIKey of 2-N-ethyl-2-N-(2-ethylsulfonylethyl)-2-methylpropane-1,2-diamine?
The InChIKey is LXHDHRYVIAXPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2S/c1-5-12(10(3,4)9-11)7-8-15(13,14)6-2/h5-9,11H2,1-4H3.
What are the key properties of 2-N-ethyl-2-N-(2-ethylsulfonylethyl)-2-methylpropane-1,2-diamine?
2-N-ethyl-2-N-(2-ethylsulfonylethyl)-2-methylpropane-1,2-diamine has a molecular weight of 236.38 g/mol, XLogP of 0.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-(2-ethylsulfonylethyl)-2-methylpropane-1,2-diamine is sourced from PubChem (CID 62010164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).