N,N-dimethyl-2-(methylamino)acetamide;sulfuric acid

C5H14N2O5S — CID 87663506

IUPACN,N-dimethyl-2-(methylamino)acetamide;sulfuric acid
SMILESCNCC(=O)N(C)C.O=S(=O)(O)O
InChIInChI=1S/C5H12N2O.H2O4S/c1-6-4-5(8)7(2)3;1-5(2,3)4/h6H,4H2,1-3H3;(H2,1,2,3,4)
InChIKeyCTWSWFIVTYVZCM-UHFFFAOYSA-N
MW214.24 g/mol
LogP-1.36
Rot. Bonds2

About N,N-dimethyl-2-(methylamino)acetamide;sulfuric acid

N,N-dimethyl-2-(methylamino)acetamide;sulfuric acid (PubChem CID 87663506) has the molecular formula C5H14N2O5S and a molecular weight of 214.24 g/mol. Its IUPAC name is N,N-dimethyl-2-(methylamino)acetamide;sulfuric acid.

Molecular Properties

Compound NameN,N-dimethyl-2-(methylamino)acetamide;sulfuric acid
PubChem CID87663506
Molecular FormulaC5H14N2O5S
Molecular Weight214.24 g/mol
Exact Mass214.06
IUPAC NameN,N-dimethyl-2-(methylamino)acetamide;sulfuric acid
SMILESCNCC(=O)N(C)C.O=S(=O)(O)O
InChIInChI=1S/C5H12N2O.H2O4S/c1-6-4-5(8)7(2)3;1-5(2,3)4/h6H,4H2,1-3H3;(H2,1,2,3,4)
InChIKeyCTWSWFIVTYVZCM-UHFFFAOYSA-N
XLogP-1.36
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-N-methyl-2-(methylamino)acetamide
CID 131096928
N-ethyl-N-methyl-2-(methylamino)acetamide
CID 18683928
methane;N-methyl-2-(methylamino)-N-[2-(methylamino)ethyl]acetamide
CID 160845776
2-[[2-(dimethylamino)-2-oxoethyl]amino]-N-methylacetamide
CID 43214721
N-[2-(dimethylamino)-2-oxoethyl]-2-(methylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 54872054
ethane;2-(ethylamino)-N,N-dimethylacetamide
CID 162757499
N,N-dimethyl-2-(3-methylsulfonylpropylamino)acetamide
CID 61037616
2-(2-tert-butylsulfonylethylamino)-N,N-dimethylacetamide
CID 106723195
3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]propanoic acid
CID 43310948
N,N-dimethyl-2-(2-propan-2-ylsulfonylethylamino)acetamide
CID 106723197
2-ethylsulfonyl-N,N-dimethylacetamide
CID 58102305
2-(heptylamino)-N,N-dimethylacetamide
CID 43214901

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(methylamino)acetamide;sulfuric acid?
The IUPAC name of N,N-dimethyl-2-(methylamino)acetamide;sulfuric acid (CID 87663506) is N,N-dimethyl-2-(methylamino)acetamide;sulfuric acid.
What is the SMILES notation for N,N-dimethyl-2-(methylamino)acetamide;sulfuric acid?
The canonical SMILES for N,N-dimethyl-2-(methylamino)acetamide;sulfuric acid is CNCC(=O)N(C)C.O=S(=O)(O)O.
What is the InChIKey of N,N-dimethyl-2-(methylamino)acetamide;sulfuric acid?
The InChIKey is CTWSWFIVTYVZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O.H2O4S/c1-6-4-5(8)7(2)3;1-5(2,3)4/h6H,4H2,1-3H3;(H2,1,2,3,4).
What are the key properties of N,N-dimethyl-2-(methylamino)acetamide;sulfuric acid?
N,N-dimethyl-2-(methylamino)acetamide;sulfuric acid has a molecular weight of 214.24 g/mol, XLogP of -1.36, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(methylamino)acetamide;sulfuric acid is sourced from PubChem (CID 87663506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).