N-(diethylaminomethyl)methanesulfonamide

C6H16N2O2S — CID 20656532

IUPACN-(diethylaminomethyl)methanesulfonamide
SMILESCCN(CC)CNS(C)(=O)=O
InChIInChI=1S/C6H16N2O2S/c1-4-8(5-2)6-7-11(3,9)10/h7H,4-6H2,1-3H3
InChIKeyIFXREFOXSUVJEC-UHFFFAOYSA-N
MW180.27 g/mol
LogP-0.17
Rot. Bonds5

About N-(diethylaminomethyl)methanesulfonamide

N-(diethylaminomethyl)methanesulfonamide (PubChem CID 20656532) has the molecular formula C6H16N2O2S and a molecular weight of 180.27 g/mol. Its IUPAC name is N-(diethylaminomethyl)methanesulfonamide.

Molecular Properties

Compound NameN-(diethylaminomethyl)methanesulfonamide
PubChem CID20656532
Molecular FormulaC6H16N2O2S
Molecular Weight180.27 g/mol
Exact Mass180.09
IUPAC NameN-(diethylaminomethyl)methanesulfonamide
SMILESCCN(CC)CNS(C)(=O)=O
InChIInChI=1S/C6H16N2O2S/c1-4-8(5-2)6-7-11(3,9)10/h7H,4-6H2,1-3H3
InChIKeyIFXREFOXSUVJEC-UHFFFAOYSA-N
XLogP-0.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(diethylaminomethyl)methanesulfonamide?
The IUPAC name of N-(diethylaminomethyl)methanesulfonamide (CID 20656532) is N-(diethylaminomethyl)methanesulfonamide.
What is the SMILES notation for N-(diethylaminomethyl)methanesulfonamide?
The canonical SMILES for N-(diethylaminomethyl)methanesulfonamide is CCN(CC)CNS(C)(=O)=O.
What is the InChIKey of N-(diethylaminomethyl)methanesulfonamide?
The InChIKey is IFXREFOXSUVJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O2S/c1-4-8(5-2)6-7-11(3,9)10/h7H,4-6H2,1-3H3.
What are the key properties of N-(diethylaminomethyl)methanesulfonamide?
N-(diethylaminomethyl)methanesulfonamide has a molecular weight of 180.27 g/mol, XLogP of -0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diethylaminomethyl)methanesulfonamide is sourced from PubChem (CID 20656532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).