2-(ethylsulfonylamino)-N-methylacetamide

C5H12N2O3S — CID 61362851

IUPAC2-(ethylsulfonylamino)-N-methylacetamide
SMILESCCS(=O)(=O)NCC(=O)NC
InChIInChI=1S/C5H12N2O3S/c1-3-11(9,10)7-4-5(8)6-2/h7H,3-4H2,1-2H3,(H,6,8)
InChIKeyPGSHKXJKFMRCON-UHFFFAOYSA-N
MW180.23 g/mol
LogP-1.33
Rot. Bonds4

About 2-(ethylsulfonylamino)-N-methylacetamide

2-(ethylsulfonylamino)-N-methylacetamide (PubChem CID 61362851) has the molecular formula C5H12N2O3S and a molecular weight of 180.23 g/mol. Its IUPAC name is 2-(ethylsulfonylamino)-N-methylacetamide.

Molecular Properties

Compound Name2-(ethylsulfonylamino)-N-methylacetamide
PubChem CID61362851
Molecular FormulaC5H12N2O3S
Molecular Weight180.23 g/mol
Exact Mass180.06
IUPAC Name2-(ethylsulfonylamino)-N-methylacetamide
SMILESCCS(=O)(=O)NCC(=O)NC
InChIInChI=1S/C5H12N2O3S/c1-3-11(9,10)7-4-5(8)6-2/h7H,3-4H2,1-2H3,(H,6,8)
InChIKeyPGSHKXJKFMRCON-UHFFFAOYSA-N
XLogP-1.33
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
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 ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylsulfonylamino)-N-methylacetamide?
The IUPAC name of 2-(ethylsulfonylamino)-N-methylacetamide (CID 61362851) is 2-(ethylsulfonylamino)-N-methylacetamide.
What is the SMILES notation for 2-(ethylsulfonylamino)-N-methylacetamide?
The canonical SMILES for 2-(ethylsulfonylamino)-N-methylacetamide is CCS(=O)(=O)NCC(=O)NC.
What is the InChIKey of 2-(ethylsulfonylamino)-N-methylacetamide?
The InChIKey is PGSHKXJKFMRCON-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O3S/c1-3-11(9,10)7-4-5(8)6-2/h7H,3-4H2,1-2H3,(H,6,8).
What are the key properties of 2-(ethylsulfonylamino)-N-methylacetamide?
2-(ethylsulfonylamino)-N-methylacetamide has a molecular weight of 180.23 g/mol, XLogP of -1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylsulfonylamino)-N-methylacetamide is sourced from PubChem (CID 61362851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).