2-[2-(dimethylamino)ethyl-(2-ethylsulfonylethyl)amino]acetic acid

C10H22N2O4S — CID 107425114

IUPAC2-[2-(dimethylamino)ethyl-(2-ethylsulfonylethyl)amino]acetic acid
SMILESCCS(=O)(=O)CCN(CCN(C)C)CC(=O)O
InChIInChI=1S/C10H22N2O4S/c1-4-17(15,16)8-7-12(9-10(13)14)6-5-11(2)3/h4-9H2,1-3H3,(H,13,14)
InChIKeyIZXCMLQDCKDQBK-UHFFFAOYSA-N
MW266.36 g/mol
LogP-0.63
Rot. Bonds9

About 2-[2-(dimethylamino)ethyl-(2-ethylsulfonylethyl)amino]acetic acid

2-[2-(dimethylamino)ethyl-(2-ethylsulfonylethyl)amino]acetic acid (PubChem CID 107425114) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl-(2-ethylsulfonylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl-(2-ethylsulfonylethyl)amino]acetic acid
PubChem CID107425114
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Name2-[2-(dimethylamino)ethyl-(2-ethylsulfonylethyl)amino]acetic acid
SMILESCCS(=O)(=O)CCN(CCN(C)C)CC(=O)O
InChIInChI=1S/C10H22N2O4S/c1-4-17(15,16)8-7-12(9-10(13)14)6-5-11(2)3/h4-9H2,1-3H3,(H,13,14)
InChIKeyIZXCMLQDCKDQBK-UHFFFAOYSA-N
XLogP-0.63
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-aminoethyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107425136
2-[2-methylpropyl(2-propylsulfonylethyl)amino]acetic acid
CID 106727514
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;methylsulfonylmethane
CID 12001108
2-[2-(dimethylamino)ethyl-(3-ethylsulfanylpropyl)amino]acetic acid
CID 107425399
dilithium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid
CID 10149598
2-[2-(dimethylamino)ethyl-(2-ethyl-2-hydroxybutyl)amino]acetic acid
CID 107425241
2-[2-(dipropylamino)ethyl-propylamino]acetic acid
CID 155392910
2-[2-[carboxymethyl-[2-[2-ethenylsulfonylethyl(ethyl)amino]ethyl]amino]ethyl-ethylamino]acetic acid
CID 156870757
2-[2-(dimethylamino)ethyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]acetic acid
CID 107425641
2-[2-propan-2-ylsulfonylethyl(propyl)amino]acetic acid
CID 104589670
Ca-DTPA
CID 86735184
lithium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;hydrate
CID 56942126

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl-(2-ethylsulfonylethyl)amino]acetic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl-(2-ethylsulfonylethyl)amino]acetic acid (CID 107425114) is 2-[2-(dimethylamino)ethyl-(2-ethylsulfonylethyl)amino]acetic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl-(2-ethylsulfonylethyl)amino]acetic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl-(2-ethylsulfonylethyl)amino]acetic acid is CCS(=O)(=O)CCN(CCN(C)C)CC(=O)O.
What is the InChIKey of 2-[2-(dimethylamino)ethyl-(2-ethylsulfonylethyl)amino]acetic acid?
The InChIKey is IZXCMLQDCKDQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-4-17(15,16)8-7-12(9-10(13)14)6-5-11(2)3/h4-9H2,1-3H3,(H,13,14).
What are the key properties of 2-[2-(dimethylamino)ethyl-(2-ethylsulfonylethyl)amino]acetic acid?
2-[2-(dimethylamino)ethyl-(2-ethylsulfonylethyl)amino]acetic acid has a molecular weight of 266.36 g/mol, XLogP of -0.63, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl-(2-ethylsulfonylethyl)amino]acetic acid is sourced from PubChem (CID 107425114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).