N'-(2-ethylsulfonylethyl)-N,N,N'-trimethylpropane-1,3-diamine

C10H24N2O2S — CID 143697642

IUPACN'-(2-ethylsulfonylethyl)-N,N,N'-trimethylpropane-1,3-diamine
SMILESCCS(=O)(=O)CCN(C)CCCN(C)C
InChIInChI=1S/C10H24N2O2S/c1-5-15(13,14)10-9-12(4)8-6-7-11(2)3/h5-10H2,1-4H3
InChIKeyWEGNBHRTWOYEIG-UHFFFAOYSA-N
MW236.38 g/mol
LogP0.30
Rot. Bonds8

About N'-(2-ethylsulfonylethyl)-N,N,N'-trimethylpropane-1,3-diamine

N'-(2-ethylsulfonylethyl)-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 143697642) has the molecular formula C10H24N2O2S and a molecular weight of 236.38 g/mol. Its IUPAC name is N'-(2-ethylsulfonylethyl)-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-ethylsulfonylethyl)-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID143697642
Molecular FormulaC10H24N2O2S
Molecular Weight236.38 g/mol
Exact Mass236.16
IUPAC NameN'-(2-ethylsulfonylethyl)-N,N,N'-trimethylpropane-1,3-diamine
SMILESCCS(=O)(=O)CCN(C)CCCN(C)C
InChIInChI=1S/C10H24N2O2S/c1-5-15(13,14)10-9-12(4)8-6-7-11(2)3/h5-10H2,1-4H3
InChIKeyWEGNBHRTWOYEIG-UHFFFAOYSA-N
XLogP0.30
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(2-ethylsulfonylethyl)-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-(2-ethylsulfonylethyl)-N,N,N'-trimethylpropane-1,3-diamine (CID 143697642) is N'-(2-ethylsulfonylethyl)-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(2-ethylsulfonylethyl)-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-(2-ethylsulfonylethyl)-N,N,N'-trimethylpropane-1,3-diamine is CCS(=O)(=O)CCN(C)CCCN(C)C.
What is the InChIKey of N'-(2-ethylsulfonylethyl)-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is WEGNBHRTWOYEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2S/c1-5-15(13,14)10-9-12(4)8-6-7-11(2)3/h5-10H2,1-4H3.
What are the key properties of N'-(2-ethylsulfonylethyl)-N,N,N'-trimethylpropane-1,3-diamine?
N'-(2-ethylsulfonylethyl)-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 236.38 g/mol, XLogP of 0.30, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethylsulfonylethyl)-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 143697642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).