3-(methylamino)-N-methylsulfonylpropanamide

C5H12N2O3S — CID 58875239

IUPAC3-(methylamino)-N-methylsulfonylpropanamide
SMILESCNCCC(=O)NS(C)(=O)=O
InChIInChI=1S/C5H12N2O3S/c1-6-4-3-5(8)7-11(2,9)10/h6H,3-4H2,1-2H3,(H,7,8)
InChIKeyLNQGIFNAAPPIGG-UHFFFAOYSA-N
MW180.23 g/mol
LogP-1.33
Rot. Bonds4

About 3-(methylamino)-N-methylsulfonylpropanamide

3-(methylamino)-N-methylsulfonylpropanamide (PubChem CID 58875239) has the molecular formula C5H12N2O3S and a molecular weight of 180.23 g/mol. Its IUPAC name is 3-(methylamino)-N-methylsulfonylpropanamide.

Molecular Properties

Compound Name3-(methylamino)-N-methylsulfonylpropanamide
PubChem CID58875239
Molecular FormulaC5H12N2O3S
Molecular Weight180.23 g/mol
Exact Mass180.06
IUPAC Name3-(methylamino)-N-methylsulfonylpropanamide
SMILESCNCCC(=O)NS(C)(=O)=O
InChIInChI=1S/C5H12N2O3S/c1-6-4-3-5(8)7-11(2,9)10/h6H,3-4H2,1-2H3,(H,7,8)
InChIKeyLNQGIFNAAPPIGG-UHFFFAOYSA-N
XLogP-1.33
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-methylsulfonylpropanamide?
The IUPAC name of 3-(methylamino)-N-methylsulfonylpropanamide (CID 58875239) is 3-(methylamino)-N-methylsulfonylpropanamide.
What is the SMILES notation for 3-(methylamino)-N-methylsulfonylpropanamide?
The canonical SMILES for 3-(methylamino)-N-methylsulfonylpropanamide is CNCCC(=O)NS(C)(=O)=O.
What is the InChIKey of 3-(methylamino)-N-methylsulfonylpropanamide?
The InChIKey is LNQGIFNAAPPIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3S/c1-6-4-3-5(8)7-11(2,9)10/h6H,3-4H2,1-2H3,(H,7,8).
What are the key properties of 3-(methylamino)-N-methylsulfonylpropanamide?
3-(methylamino)-N-methylsulfonylpropanamide has a molecular weight of 180.23 g/mol, XLogP of -1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-methylsulfonylpropanamide is sourced from PubChem (CID 58875239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).