N-[2-(methylamino)ethyl]methanesulfonamide

C4H12N2O2S — CID 541904

IUPACN-[2-(methylamino)ethyl]methanesulfonamide
SMILESCNCCNS(C)(=O)=O
InChIInChI=1S/C4H12N2O2S/c1-5-3-4-6-9(2,7)8/h5-6H,3-4H2,1-2H3
InChIKeyGGMCWBILTFDYKW-UHFFFAOYSA-N
MW152.22 g/mol
LogP-1.25
Rot. Bonds4

About N-[2-(methylamino)ethyl]methanesulfonamide

N-[2-(methylamino)ethyl]methanesulfonamide (PubChem CID 541904) has the molecular formula C4H12N2O2S and a molecular weight of 152.22 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]methanesulfonamide
PubChem CID541904
Molecular FormulaC4H12N2O2S
Molecular Weight152.22 g/mol
Exact Mass152.06
IUPAC NameN-[2-(methylamino)ethyl]methanesulfonamide
SMILESCNCCNS(C)(=O)=O
InChIInChI=1S/C4H12N2O2S/c1-5-3-4-6-9(2,7)8/h5-6H,3-4H2,1-2H3
InChIKeyGGMCWBILTFDYKW-UHFFFAOYSA-N
XLogP-1.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(methylamino)ethyl]methanesulfonamide (CID 541904) is N-[2-(methylamino)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(methylamino)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(methylamino)ethyl]methanesulfonamide is CNCCNS(C)(=O)=O.
What is the InChIKey of N-[2-(methylamino)ethyl]methanesulfonamide?
The InChIKey is GGMCWBILTFDYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O2S/c1-5-3-4-6-9(2,7)8/h5-6H,3-4H2,1-2H3.
What are the key properties of N-[2-(methylamino)ethyl]methanesulfonamide?
N-[2-(methylamino)ethyl]methanesulfonamide has a molecular weight of 152.22 g/mol, XLogP of -1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]methanesulfonamide is sourced from PubChem (CID 541904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).