2-N-(2-ethylsulfonylethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine

C11H26N2O2S — CID 61479947

IUPAC2-N-(2-ethylsulfonylethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
SMILESCCS(=O)(=O)CCNC(CN(C)C)C(C)C
InChIInChI=1S/C11H26N2O2S/c1-6-16(14,15)8-7-12-11(10(2)3)9-13(4)5/h10-12H,6-9H2,1-5H3
InChIKeyCHPPNYRWSQABIX-UHFFFAOYSA-N
MW250.41 g/mol
LogP0.60
Rot. Bonds8

About 2-N-(2-ethylsulfonylethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine

2-N-(2-ethylsulfonylethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine (PubChem CID 61479947) has the molecular formula C11H26N2O2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 2-N-(2-ethylsulfonylethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-ethylsulfonylethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
PubChem CID61479947
Molecular FormulaC11H26N2O2S
Molecular Weight250.41 g/mol
Exact Mass250.17
IUPAC Name2-N-(2-ethylsulfonylethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine
SMILESCCS(=O)(=O)CCNC(CN(C)C)C(C)C
InChIInChI=1S/C11H26N2O2S/c1-6-16(14,15)8-7-12-11(10(2)3)9-13(4)5/h10-12H,6-9H2,1-5H3
InChIKeyCHPPNYRWSQABIX-UHFFFAOYSA-N
XLogP0.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethylsulfonylethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
The IUPAC name of 2-N-(2-ethylsulfonylethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine (CID 61479947) is 2-N-(2-ethylsulfonylethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(2-ethylsulfonylethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-(2-ethylsulfonylethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine is CCS(=O)(=O)CCNC(CN(C)C)C(C)C.
What is the InChIKey of 2-N-(2-ethylsulfonylethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
The InChIKey is CHPPNYRWSQABIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O2S/c1-6-16(14,15)8-7-12-11(10(2)3)9-13(4)5/h10-12H,6-9H2,1-5H3.
What are the key properties of 2-N-(2-ethylsulfonylethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine?
2-N-(2-ethylsulfonylethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine has a molecular weight of 250.41 g/mol, XLogP of 0.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethylsulfonylethyl)-1-N,1-N,3-trimethylbutane-1,2-diamine is sourced from PubChem (CID 61479947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).