2-(methylamino)ethanesulfonyl fluoride;hydrochloride

C3H9ClFNO2S — CID 155821097

IUPAC2-(methylamino)ethanesulfonyl fluoride;hydrochloride
SMILESCNCCS(=O)(=O)F.Cl
InChIInChI=1S/C3H8FNO2S.ClH/c1-5-2-3-8(4,6)7;/h5H,2-3H2,1H3;1H
InChIKeyFDWMOVDYWOEXAO-UHFFFAOYSA-N
MW177.63 g/mol
LogP-0.07
Rot. Bonds3

About 2-(methylamino)ethanesulfonyl fluoride;hydrochloride

2-(methylamino)ethanesulfonyl fluoride;hydrochloride (PubChem CID 155821097) has the molecular formula C3H9ClFNO2S and a molecular weight of 177.63 g/mol. Its IUPAC name is 2-(methylamino)ethanesulfonyl fluoride;hydrochloride.

Molecular Properties

Compound Name2-(methylamino)ethanesulfonyl fluoride;hydrochloride
PubChem CID155821097
Molecular FormulaC3H9ClFNO2S
Molecular Weight177.63 g/mol
Exact Mass177.00
IUPAC Name2-(methylamino)ethanesulfonyl fluoride;hydrochloride
SMILESCNCCS(=O)(=O)F.Cl
InChIInChI=1S/C3H8FNO2S.ClH/c1-5-2-3-8(4,6)7;/h5H,2-3H2,1H3;1H
InChIKeyFDWMOVDYWOEXAO-UHFFFAOYSA-N
XLogP-0.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.63
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(methylamino)ethanesulfonyl fluoride;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium 2-(methylamino)ethanesulfonate
CID 23684896
methane;2-(methylamino)ethanesulfonic acid
CID 160562467
CID 87316940
CID 87316940
disodium;hydride;2-(methylamino)ethanesulfonic acid
CID 173271424
2-(4-ethylanilino)ethanesulfonyl fluoride;hydrochloride
CID 88507578
2-(methylamino)-N-(3,3,3-trifluoropropyl)ethanesulfonamide
CID 63227903
2-(benzenesulfonyl)-N-methylethanamine;hydrochloride
CID 155973548
N-methylsulfamoyl fluoride;dihydrochloride
CID 168846426
2-(2-methoxyethylsulfonyl)-N-methylethanamine
CID 64646513
lithium 3-(methylamino)propane-1-sulfonate
CID 118522959
2-cyclopentylsulfonyl-N-methylethanamine
CID 64673517
N-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 62560122

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)ethanesulfonyl fluoride;hydrochloride?
The IUPAC name of 2-(methylamino)ethanesulfonyl fluoride;hydrochloride (CID 155821097) is 2-(methylamino)ethanesulfonyl fluoride;hydrochloride.
What is the SMILES notation for 2-(methylamino)ethanesulfonyl fluoride;hydrochloride?
The canonical SMILES for 2-(methylamino)ethanesulfonyl fluoride;hydrochloride is CNCCS(=O)(=O)F.Cl.
What is the InChIKey of 2-(methylamino)ethanesulfonyl fluoride;hydrochloride?
The InChIKey is FDWMOVDYWOEXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8FNO2S.ClH/c1-5-2-3-8(4,6)7;/h5H,2-3H2,1H3;1H.
What are the key properties of 2-(methylamino)ethanesulfonyl fluoride;hydrochloride?
2-(methylamino)ethanesulfonyl fluoride;hydrochloride has a molecular weight of 177.63 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)ethanesulfonyl fluoride;hydrochloride is sourced from PubChem (CID 155821097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).