N-ethylmethanesulfonamide

C3H9NO2S — CID 5136276

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

About N-ethylmethanesulfonamide

N-ethylmethanesulfonamide (PubChem CID 5136276) has the molecular formula C3H9NO2S and a molecular weight of 123.18 g/mol. Its IUPAC name is N-ethylmethanesulfonamide.

Molecular Properties

Compound NameN-ethylmethanesulfonamide
PubChem CID5136276
Molecular FormulaC3H9NO2S
Molecular Weight123.18 g/mol
Exact Mass123.04
IUPAC NameN-ethylmethanesulfonamide
SMILESCCNS(C)(=O)=O
InChIInChI=1S/C3H9NO2S/c1-3-4-7(2,5)6/h4H,3H2,1-2H3
InChIKeyPZVFQOBASICMME-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

2-Methylsulfonylsulfanylethanamine
CID 413295
Methanesulfonamide, 1-chloro-N-ethyl-
CID 171110
N-(propan-2-yl)methanesulfonamide
CID 312702
N-propylmethanesulfonamide
CID 235967
N-(2-bromoethyl)methanesulfonamide
CID 285330
N-(3-Aminopropyl)methanesulfonamide
CID 18350602
N-ethylethane-1-sulfonamide
CID 3302035
N-(2-methylpropyl)methanesulfonamide
CID 4547916
N-(2-Iodoethyl)methanesulfonamide
CID 21344428
N-(2-aminoethyl)methanesulfonamide hydrochloride
CID 22609809
Ethanaminium mesylate
CID 56927986
N-(2-Aminoethyl)methanesulfonamide
CID 533845

Frequently Asked Questions

What is the IUPAC name of N-ethylmethanesulfonamide?
The IUPAC name of N-ethylmethanesulfonamide (CID 5136276) is N-ethylmethanesulfonamide.
What is the SMILES notation for N-ethylmethanesulfonamide?
The canonical SMILES for N-ethylmethanesulfonamide is CCNS(C)(=O)=O.
What is the InChIKey of N-ethylmethanesulfonamide?
The InChIKey is PZVFQOBASICMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO2S/c1-3-4-7(2,5)6/h4H,3H2,1-2H3.
What are the key properties of N-ethylmethanesulfonamide?
N-ethylmethanesulfonamide 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-ethylmethanesulfonamide is sourced from PubChem (CID 5136276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).