2-(methanesulfonamido)-N,N-dimethylacetamide

C5H12N2O3S — CID 22346487

IUPAC2-(methanesulfonamido)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNS(C)(=O)=O
InChIInChI=1S/C5H12N2O3S/c1-7(2)5(8)4-6-11(3,9)10/h6H,4H2,1-3H3
InChIKeyTWMDQTNRBAKXEX-UHFFFAOYSA-N
MW180.23 g/mol
LogP-1.38
Rot. Bonds3

About 2-(methanesulfonamido)-N,N-dimethylacetamide

2-(methanesulfonamido)-N,N-dimethylacetamide (PubChem CID 22346487) has the molecular formula C5H12N2O3S and a molecular weight of 180.23 g/mol. Its IUPAC name is 2-(methanesulfonamido)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(methanesulfonamido)-N,N-dimethylacetamide
PubChem CID22346487
Molecular FormulaC5H12N2O3S
Molecular Weight180.23 g/mol
Exact Mass180.06
IUPAC Name2-(methanesulfonamido)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CNS(C)(=O)=O
InChIInChI=1S/C5H12N2O3S/c1-7(2)5(8)4-6-11(3,9)10/h6H,4H2,1-3H3
InChIKeyTWMDQTNRBAKXEX-UHFFFAOYSA-N
XLogP-1.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 5-1.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)-N,N-dimethylacetamide?
The IUPAC name of 2-(methanesulfonamido)-N,N-dimethylacetamide (CID 22346487) is 2-(methanesulfonamido)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(methanesulfonamido)-N,N-dimethylacetamide?
The canonical SMILES for 2-(methanesulfonamido)-N,N-dimethylacetamide is CN(C)C(=O)CNS(C)(=O)=O.
What is the InChIKey of 2-(methanesulfonamido)-N,N-dimethylacetamide?
The InChIKey is TWMDQTNRBAKXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3S/c1-7(2)5(8)4-6-11(3,9)10/h6H,4H2,1-3H3.
What are the key properties of 2-(methanesulfonamido)-N,N-dimethylacetamide?
2-(methanesulfonamido)-N,N-dimethylacetamide has a molecular weight of 180.23 g/mol, XLogP of -1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)-N,N-dimethylacetamide is sourced from PubChem (CID 22346487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).