N'-ethyl-N'-(2-ethylsulfonylethyl)-N,N-dimethylpropane-1,3-diamine

C11H26N2O2S — CID 148915817

IUPACN'-ethyl-N'-(2-ethylsulfonylethyl)-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)CCS(=O)(=O)CC
InChIInChI=1S/C11H26N2O2S/c1-5-13(9-7-8-12(3)4)10-11-16(14,15)6-2/h5-11H2,1-4H3
InChIKeyPJNHNKQATWXNOT-UHFFFAOYSA-N
MW250.41 g/mol
LogP0.69
Rot. Bonds9

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

N'-ethyl-N'-(2-ethylsulfonylethyl)-N,N-dimethylpropane-1,3-diamine (PubChem CID 148915817) has the molecular formula C11H26N2O2S and a molecular weight of 250.41 g/mol. Its IUPAC name is N'-ethyl-N'-(2-ethylsulfonylethyl)-N,N-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(2-ethylsulfonylethyl)-N,N-dimethylpropane-1,3-diamine
PubChem CID148915817
Molecular FormulaC11H26N2O2S
Molecular Weight250.41 g/mol
Exact Mass250.17
IUPAC NameN'-ethyl-N'-(2-ethylsulfonylethyl)-N,N-dimethylpropane-1,3-diamine
SMILESCCN(CCCN(C)C)CCS(=O)(=O)CC
InChIInChI=1S/C11H26N2O2S/c1-5-13(9-7-8-12(3)4)10-11-16(14,15)6-2/h5-11H2,1-4H3
InChIKeyPJNHNKQATWXNOT-UHFFFAOYSA-N
XLogP0.69
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(2-ethylsulfonylethyl)-N,N-dimethylpropane-1,3-diamine?
The IUPAC name of N'-ethyl-N'-(2-ethylsulfonylethyl)-N,N-dimethylpropane-1,3-diamine (CID 148915817) is N'-ethyl-N'-(2-ethylsulfonylethyl)-N,N-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N'-(2-ethylsulfonylethyl)-N,N-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-ethyl-N'-(2-ethylsulfonylethyl)-N,N-dimethylpropane-1,3-diamine is CCN(CCCN(C)C)CCS(=O)(=O)CC.
What is the InChIKey of N'-ethyl-N'-(2-ethylsulfonylethyl)-N,N-dimethylpropane-1,3-diamine?
The InChIKey is PJNHNKQATWXNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2S/c1-5-13(9-7-8-12(3)4)10-11-16(14,15)6-2/h5-11H2,1-4H3.
What are the key properties of N'-ethyl-N'-(2-ethylsulfonylethyl)-N,N-dimethylpropane-1,3-diamine?
N'-ethyl-N'-(2-ethylsulfonylethyl)-N,N-dimethylpropane-1,3-diamine has a molecular weight of 250.41 g/mol, XLogP of 0.69, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(2-ethylsulfonylethyl)-N,N-dimethylpropane-1,3-diamine is sourced from PubChem (CID 148915817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).