2,2-dimethyl-3-(methylamino)-N-methylsulfonylpropanamide

C7H16N2O3S — CID 123284196

IUPAC2,2-dimethyl-3-(methylamino)-N-methylsulfonylpropanamide
SMILESCNCC(C)(C)C(=O)NS(C)(=O)=O
InChIInChI=1S/C7H16N2O3S/c1-7(2,5-8-3)6(10)9-13(4,11)12/h8H,5H2,1-4H3,(H,9,10)
InChIKeyNUEKKIBXNFRJBQ-UHFFFAOYSA-N
MW208.28 g/mol
LogP-0.69
Rot. Bonds4

About 2,2-dimethyl-3-(methylamino)-N-methylsulfonylpropanamide

2,2-dimethyl-3-(methylamino)-N-methylsulfonylpropanamide (PubChem CID 123284196) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is 2,2-dimethyl-3-(methylamino)-N-methylsulfonylpropanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-(methylamino)-N-methylsulfonylpropanamide
PubChem CID123284196
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC Name2,2-dimethyl-3-(methylamino)-N-methylsulfonylpropanamide
SMILESCNCC(C)(C)C(=O)NS(C)(=O)=O
InChIInChI=1S/C7H16N2O3S/c1-7(2,5-8-3)6(10)9-13(4,11)12/h8H,5H2,1-4H3,(H,9,10)
InChIKeyNUEKKIBXNFRJBQ-UHFFFAOYSA-N
XLogP-0.69
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(methylamino)-N-methylsulfonylpropanamide?
The IUPAC name of 2,2-dimethyl-3-(methylamino)-N-methylsulfonylpropanamide (CID 123284196) is 2,2-dimethyl-3-(methylamino)-N-methylsulfonylpropanamide.
What is the SMILES notation for 2,2-dimethyl-3-(methylamino)-N-methylsulfonylpropanamide?
The canonical SMILES for 2,2-dimethyl-3-(methylamino)-N-methylsulfonylpropanamide is CNCC(C)(C)C(=O)NS(C)(=O)=O.
What is the InChIKey of 2,2-dimethyl-3-(methylamino)-N-methylsulfonylpropanamide?
The InChIKey is NUEKKIBXNFRJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-7(2,5-8-3)6(10)9-13(4,11)12/h8H,5H2,1-4H3,(H,9,10).
What are the key properties of 2,2-dimethyl-3-(methylamino)-N-methylsulfonylpropanamide?
2,2-dimethyl-3-(methylamino)-N-methylsulfonylpropanamide has a molecular weight of 208.28 g/mol, XLogP of -0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(methylamino)-N-methylsulfonylpropanamide is sourced from PubChem (CID 123284196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).