N-methylethanesulfonamide

C3H9NO2S — CID 11105495

IUPACN-methylethanesulfonamide
SMILESCCS(=O)(=O)NC
InChIInChI=1S/C3H9NO2S/c1-3-7(5,6)4-2/h4H,3H2,1-2H3
InChIKeyQSPPRYLTQFCUCH-UHFFFAOYSA-N
MW123.18 g/mol
LogP-0.44
Rot. Bonds2

About N-methylethanesulfonamide

N-methylethanesulfonamide (PubChem CID 11105495) has the molecular formula C3H9NO2S and a molecular weight of 123.18 g/mol. Its IUPAC name is N-methylethanesulfonamide.

Molecular Properties

Compound NameN-methylethanesulfonamide
PubChem CID11105495
Molecular FormulaC3H9NO2S
Molecular Weight123.18 g/mol
Exact Mass123.04
IUPAC NameN-methylethanesulfonamide
SMILESCCS(=O)(=O)NC
InChIInChI=1S/C3H9NO2S/c1-3-7(5,6)4-2/h4H,3H2,1-2H3
InChIKeyQSPPRYLTQFCUCH-UHFFFAOYSA-N
XLogP-0.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.18
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methylbutane-1-sulfonamide
CID 13343581
N-methylcyclopropanesulfonamide
CID 15334537
N-ethylethane-1-sulfonamide
CID 3302035
N-Methylpropane-1-sulfonamide
CID 14399856
N-methylpropane-2-sulfonamide
CID 20487245
2-bromo-N-methylethane-1-sulfonamide
CID 84670420
2-amino-N-methylethanesulfonamide
CID 16765290
2-fluoro-N-methylethanesulfonamide
CID 89208322
1-fluoro-N-methylpropane-1-sulfonamide
CID 90730022
4-fluoro-N-methylbutane-1-sulfonamide
CID 90895607
1-fluoro-N-methylbutane-1-sulfonamide
CID 91535676
2-fluoro-N-methylpropane-1-sulfonamide
CID 122674421

Frequently Asked Questions

What is the IUPAC name of N-methylethanesulfonamide?
The IUPAC name of N-methylethanesulfonamide (CID 11105495) is N-methylethanesulfonamide.
What is the SMILES notation for N-methylethanesulfonamide?
The canonical SMILES for N-methylethanesulfonamide is CCS(=O)(=O)NC.
What is the InChIKey of N-methylethanesulfonamide?
The InChIKey is QSPPRYLTQFCUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO2S/c1-3-7(5,6)4-2/h4H,3H2,1-2H3.
What are the key properties of N-methylethanesulfonamide?
N-methylethanesulfonamide has a molecular weight of 123.18 g/mol, XLogP of -0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylethanesulfonamide is sourced from PubChem (CID 11105495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).