ethane-1,2-diamine;1-ethylsulfonylethane

C6H18N2O2S — CID 88712876

IUPACethane-1,2-diamine;1-ethylsulfonylethane
SMILESCCS(=O)(=O)CC.NCCN
InChIInChI=1S/C4H10O2S.C2H8N2/c1-3-7(5,6)4-2;3-1-2-4/h3-4H2,1-2H3;1-4H2
InChIKeyFKQFMMOYXAAXQN-UHFFFAOYSA-N
MW182.29 g/mol
LogP-0.66
Rot. Bonds3

About ethane-1,2-diamine;1-ethylsulfonylethane

ethane-1,2-diamine;1-ethylsulfonylethane (PubChem CID 88712876) has the molecular formula C6H18N2O2S and a molecular weight of 182.29 g/mol. Its IUPAC name is ethane-1,2-diamine;1-ethylsulfonylethane.

Molecular Properties

Compound Nameethane-1,2-diamine;1-ethylsulfonylethane
PubChem CID88712876
Molecular FormulaC6H18N2O2S
Molecular Weight182.29 g/mol
Exact Mass182.11
IUPAC Nameethane-1,2-diamine;1-ethylsulfonylethane
SMILESCCS(=O)(=O)CC.NCCN
InChIInChI=1S/C4H10O2S.C2H8N2/c1-3-7(5,6)4-2;3-1-2-4/h3-4H2,1-2H3;1-4H2
InChIKeyFKQFMMOYXAAXQN-UHFFFAOYSA-N
XLogP-0.66
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethane-1,2-diamine;methanesulfonic acid
CID 161046577
2-(2-ethylsulfonylethoxy)ethanamine
CID 62343611
1-ethylsulfonylethane;sulfur trioxide
CID 159641357
1-ethylsulfonylethane;methoxymethane
CID 174793539
2-propylsulfonylethanamine;hydrochloride
CID 87608994
5-ethylsulfonylpentan-1-amine
CID 54172156
2-(2-ethoxyethylsulfonyl)ethanamine
CID 58684809
ethanamine;ethane;ethane-1,2-diamine
CID 144954036
azane;ethane-1,2-diamine;sulfuric acid
CID 175425988
cobalt(2+);bis(ethane-1,2-diamine);sulfate
CID 161215849
3-butylsulfonylpropan-1-amine
CID 43615632
acetonitrile;1-ethylsulfonylethane
CID 158338907

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diamine;1-ethylsulfonylethane?
The IUPAC name of ethane-1,2-diamine;1-ethylsulfonylethane (CID 88712876) is ethane-1,2-diamine;1-ethylsulfonylethane.
What is the SMILES notation for ethane-1,2-diamine;1-ethylsulfonylethane?
The canonical SMILES for ethane-1,2-diamine;1-ethylsulfonylethane is CCS(=O)(=O)CC.NCCN.
What is the InChIKey of ethane-1,2-diamine;1-ethylsulfonylethane?
The InChIKey is FKQFMMOYXAAXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2S.C2H8N2/c1-3-7(5,6)4-2;3-1-2-4/h3-4H2,1-2H3;1-4H2.
What are the key properties of ethane-1,2-diamine;1-ethylsulfonylethane?
ethane-1,2-diamine;1-ethylsulfonylethane has a molecular weight of 182.29 g/mol, XLogP of -0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diamine;1-ethylsulfonylethane is sourced from PubChem (CID 88712876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).