2-(dimethylamino)-2-oxoethanesulfinic acid;yttrium

C4H9NO3SY — CID 21337322

IUPAC2-(dimethylamino)-2-oxoethanesulfinic acid;yttrium
SMILESCN(C)C(=O)CS(=O)O.[Y]
InChIInChI=1S/C4H9NO3S.Y/c1-5(2)4(6)3-9(7)8;/h3H2,1-2H3,(H,7,8);
InChIKeyMKPYYYPNEWIQIY-UHFFFAOYSA-N
MW240.09 g/mol
LogP-0.71
Rot. Bonds2

About 2-(dimethylamino)-2-oxoethanesulfinic acid;yttrium

2-(dimethylamino)-2-oxoethanesulfinic acid;yttrium (PubChem CID 21337322) has the molecular formula C4H9NO3SY and a molecular weight of 240.09 g/mol. Its IUPAC name is 2-(dimethylamino)-2-oxoethanesulfinic acid;yttrium.

Molecular Properties

Compound Name2-(dimethylamino)-2-oxoethanesulfinic acid;yttrium
PubChem CID21337322
Molecular FormulaC4H9NO3SY
Molecular Weight240.09 g/mol
Exact Mass239.94
IUPAC Name2-(dimethylamino)-2-oxoethanesulfinic acid;yttrium
SMILESCN(C)C(=O)CS(=O)O.[Y]
InChIInChI=1S/C4H9NO3S.Y/c1-5(2)4(6)3-9(7)8;/h3H2,1-2H3,(H,7,8);
InChIKeyMKPYYYPNEWIQIY-UHFFFAOYSA-N
XLogP-0.71
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.09
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[azetidin-3-yl(methyl)amino]-2-oxoethanesulfinic acid
CID 84664064
2-(benzenesulfinyl)-N,N-dimethylacetamide
CID 25183887
N,N-dimethyl-2-[(R)-(4-methylphenyl)sulfinyl]acetamide
CID 10867970
2-[methyl(pyrrolidin-3-yl)amino]-2-oxoethanesulfinic acid
CID 84674319
[[methyl(sulfino)amino]-sulfinoamino]methane
CID 23174157
2-(2-amino-6-chlorophenyl)sulfinyl-N,N-dimethylacetamide
CID 81185117
N,N-dimethyl-2-trimethylsilyloxyacetamide
CID 102264799
2-(4-amino-2,6-difluorophenyl)sulfinyl-N,N-dimethylacetamide
CID 61369612
2,3-dioxobutane-1-sulfinic acid
CID 154406405
2-[(3,4-dimethylphenyl)methylsulfinyl]-N,N-dimethylacetamide
CID 75379567
3,4-dihydroxy-N,N-dimethylbutanamide
CID 21025486
N,N-dimethylbutanamide;hydrochloride
CID 87498306

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-oxoethanesulfinic acid;yttrium?
The IUPAC name of 2-(dimethylamino)-2-oxoethanesulfinic acid;yttrium (CID 21337322) is 2-(dimethylamino)-2-oxoethanesulfinic acid;yttrium.
What is the SMILES notation for 2-(dimethylamino)-2-oxoethanesulfinic acid;yttrium?
The canonical SMILES for 2-(dimethylamino)-2-oxoethanesulfinic acid;yttrium is CN(C)C(=O)CS(=O)O.[Y].
What is the InChIKey of 2-(dimethylamino)-2-oxoethanesulfinic acid;yttrium?
The InChIKey is MKPYYYPNEWIQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3S.Y/c1-5(2)4(6)3-9(7)8;/h3H2,1-2H3,(H,7,8);.
What are the key properties of 2-(dimethylamino)-2-oxoethanesulfinic acid;yttrium?
2-(dimethylamino)-2-oxoethanesulfinic acid;yttrium has a molecular weight of 240.09 g/mol, XLogP of -0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-oxoethanesulfinic acid;yttrium is sourced from PubChem (CID 21337322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).