N-(2-ethylsulfonylethyl)-N',N'-dimethylethane-1,2-diamine

C8H20N2O2S — CID 43807684

IUPACN-(2-ethylsulfonylethyl)-N',N'-dimethylethane-1,2-diamine
SMILESCCS(=O)(=O)CCNCCN(C)C
InChIInChI=1S/C8H20N2O2S/c1-4-13(11,12)8-6-9-5-7-10(2)3/h9H,4-8H2,1-3H3
InChIKeyXZGJWBYHYCREBA-UHFFFAOYSA-N
MW208.33 g/mol
LogP-0.43
Rot. Bonds7

About N-(2-ethylsulfonylethyl)-N',N'-dimethylethane-1,2-diamine

N-(2-ethylsulfonylethyl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 43807684) has the molecular formula C8H20N2O2S and a molecular weight of 208.33 g/mol. Its IUPAC name is N-(2-ethylsulfonylethyl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-ethylsulfonylethyl)-N',N'-dimethylethane-1,2-diamine
PubChem CID43807684
Molecular FormulaC8H20N2O2S
Molecular Weight208.33 g/mol
Exact Mass208.12
IUPAC NameN-(2-ethylsulfonylethyl)-N',N'-dimethylethane-1,2-diamine
SMILESCCS(=O)(=O)CCNCCN(C)C
InChIInChI=1S/C8H20N2O2S/c1-4-13(11,12)8-6-9-5-7-10(2)3/h9H,4-8H2,1-3H3
InChIKeyXZGJWBYHYCREBA-UHFFFAOYSA-N
XLogP-0.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-Methanesulfonylethyl)piperazine dihydrochloride
CID 17749885
N'-(1,1-Dioxidotetrahydrothien-3-Yl)-N,N-Diethylethane-1,2-Diamine
CID 16226707
1-(2-(Methylsulfonyl)ethyl)piperazine
CID 3801959
(2-Aminoethyl)(2-methanesulfonylethyl)methylamine dihydrochloride
CID 126800681
2-Aminoethanesulfonate;triethylazanium
CID 141340657
N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylethane-1,2-diamine
CID 3131596
Bis-(2-ethanesulfonyl-ethyl)-amine
CID 302701
N'-ethyl-N-(2-methylsulfonylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55089721
N-(2-methylsulfonylethyl)-N'-propyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62556137
N'-methyl-N-(2-methylsulfonylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62560837
N'-methyl-N-(2-methylsulfonylethyl)-N'-(3,3,3-trifluoropropyl)ethane-1,2-diamine
CID 65532683
N'-methyl-N'-(2-methylsulfonylethyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 79858313

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfonylethyl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(2-ethylsulfonylethyl)-N',N'-dimethylethane-1,2-diamine (CID 43807684) is N-(2-ethylsulfonylethyl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(2-ethylsulfonylethyl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(2-ethylsulfonylethyl)-N',N'-dimethylethane-1,2-diamine is CCS(=O)(=O)CCNCCN(C)C.
What is the InChIKey of N-(2-ethylsulfonylethyl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is XZGJWBYHYCREBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O2S/c1-4-13(11,12)8-6-9-5-7-10(2)3/h9H,4-8H2,1-3H3.
What are the key properties of N-(2-ethylsulfonylethyl)-N',N'-dimethylethane-1,2-diamine?
N-(2-ethylsulfonylethyl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 208.33 g/mol, XLogP of -0.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfonylethyl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 43807684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).