N,N-diethylethanamine;2-(dimethylamino)ethanesulfonic acid

C10H26N2O3S — CID 175940387

IUPACN,N-diethylethanamine;2-(dimethylamino)ethanesulfonic acid
SMILESCCN(CC)CC.CN(C)CCS(=O)(=O)O
InChIInChI=1S/C6H15N.C4H11NO3S/c1-4-7(5-2)6-3;1-5(2)3-4-9(6,7)8/h4-6H2,1-3H3;3-4H2,1-2H3,(H,6,7,8)
InChIKeyOQSDHWYYOHEIFL-UHFFFAOYSA-N
MW254.40 g/mol
LogP0.78
Rot. Bonds6

About N,N-diethylethanamine;2-(dimethylamino)ethanesulfonic acid

N,N-diethylethanamine;2-(dimethylamino)ethanesulfonic acid (PubChem CID 175940387) has the molecular formula C10H26N2O3S and a molecular weight of 254.40 g/mol. Its IUPAC name is N,N-diethylethanamine;2-(dimethylamino)ethanesulfonic acid.

Molecular Properties

Compound NameN,N-diethylethanamine;2-(dimethylamino)ethanesulfonic acid
PubChem CID175940387
Molecular FormulaC10H26N2O3S
Molecular Weight254.40 g/mol
Exact Mass254.17
IUPAC NameN,N-diethylethanamine;2-(dimethylamino)ethanesulfonic acid
SMILESCCN(CC)CC.CN(C)CCS(=O)(=O)O
InChIInChI=1S/C6H15N.C4H11NO3S/c1-4-7(5-2)6-3;1-5(2)3-4-9(6,7)8/h4-6H2,1-3H3;3-4H2,1-2H3,(H,6,7,8)
InChIKeyOQSDHWYYOHEIFL-UHFFFAOYSA-N
XLogP0.78
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

N,N-diethylethanamine;ethanesulfonic acid
CID 86151336
N,N-dimethylpropan-1-amine;propane-1-sulfonic acid
CID 173037314
tetradecakis(N,N-diethylethanamine);sulfuric acid
CID 173427805
2-(dimethylamino)ethanesulfonic acid;pentan-1-amine
CID 174855112
2-[ethylsulfonyl(methyl)amino]ethanesulfonic acid
CID 175207479
N,N-diethylethanamine;methanesulfonic acid;hydrochloride
CID 87836130
sodium;N,N-diethylethanamine;hydride;sulfuric acid
CID 175161675
2-[methyl-[2-[methyl(propyl)amino]ethyl]amino]ethanesulfonic acid
CID 89384539
sodium 2-[methyl(oxido)amino]ethanesulfonic acid
CID 175275747
2-[butan-2-yl(methyl)amino]ethanesulfonic acid
CID 170225415
4-[ethyl(methyl)amino]butane-1-sulfonic acid
CID 54170447
ethane;pentakis(propane-1-sulfonic acid)
CID 158893831

Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;2-(dimethylamino)ethanesulfonic acid?
The IUPAC name of N,N-diethylethanamine;2-(dimethylamino)ethanesulfonic acid (CID 175940387) is N,N-diethylethanamine;2-(dimethylamino)ethanesulfonic acid.
What is the SMILES notation for N,N-diethylethanamine;2-(dimethylamino)ethanesulfonic acid?
The canonical SMILES for N,N-diethylethanamine;2-(dimethylamino)ethanesulfonic acid is CCN(CC)CC.CN(C)CCS(=O)(=O)O.
What is the InChIKey of N,N-diethylethanamine;2-(dimethylamino)ethanesulfonic acid?
The InChIKey is OQSDHWYYOHEIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C4H11NO3S/c1-4-7(5-2)6-3;1-5(2)3-4-9(6,7)8/h4-6H2,1-3H3;3-4H2,1-2H3,(H,6,7,8).
What are the key properties of N,N-diethylethanamine;2-(dimethylamino)ethanesulfonic acid?
N,N-diethylethanamine;2-(dimethylamino)ethanesulfonic acid has a molecular weight of 254.40 g/mol, XLogP of 0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;2-(dimethylamino)ethanesulfonic acid is sourced from PubChem (CID 175940387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).