N-methyl-2-(methylamino)ethanesulfonamide;hydrochloride

C4H13ClN2O2S — CID 74889896

IUPACN-methyl-2-(methylamino)ethanesulfonamide;hydrochloride
SMILESCNCCS(=O)(=O)NC.Cl
InChIInChI=1S/C4H12N2O2S.ClH/c1-5-3-4-9(7,8)6-2;/h5-6H,3-4H2,1-2H3;1H
InChIKeyNPYYSCKOYYHFDN-UHFFFAOYSA-N
MW188.68 g/mol
LogP-0.82
Rot. Bonds4

About N-methyl-2-(methylamino)ethanesulfonamide;hydrochloride

N-methyl-2-(methylamino)ethanesulfonamide;hydrochloride (PubChem CID 74889896) has the molecular formula C4H13ClN2O2S and a molecular weight of 188.68 g/mol. Its IUPAC name is N-methyl-2-(methylamino)ethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-(methylamino)ethanesulfonamide;hydrochloride
PubChem CID74889896
Molecular FormulaC4H13ClN2O2S
Molecular Weight188.68 g/mol
Exact Mass188.04
IUPAC NameN-methyl-2-(methylamino)ethanesulfonamide;hydrochloride
SMILESCNCCS(=O)(=O)NC.Cl
InChIInChI=1S/C4H12N2O2S.ClH/c1-5-3-4-9(7,8)6-2;/h5-6H,3-4H2,1-2H3;1H
InChIKeyNPYYSCKOYYHFDN-UHFFFAOYSA-N
XLogP-0.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.68
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(methylamino)ethanesulfonamide;hydrochloride?
The IUPAC name of N-methyl-2-(methylamino)ethanesulfonamide;hydrochloride (CID 74889896) is N-methyl-2-(methylamino)ethanesulfonamide;hydrochloride.
What is the SMILES notation for N-methyl-2-(methylamino)ethanesulfonamide;hydrochloride?
The canonical SMILES for N-methyl-2-(methylamino)ethanesulfonamide;hydrochloride is CNCCS(=O)(=O)NC.Cl.
What is the InChIKey of N-methyl-2-(methylamino)ethanesulfonamide;hydrochloride?
The InChIKey is NPYYSCKOYYHFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O2S.ClH/c1-5-3-4-9(7,8)6-2;/h5-6H,3-4H2,1-2H3;1H.
What are the key properties of N-methyl-2-(methylamino)ethanesulfonamide;hydrochloride?
N-methyl-2-(methylamino)ethanesulfonamide;hydrochloride has a molecular weight of 188.68 g/mol, XLogP of -0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(methylamino)ethanesulfonamide;hydrochloride is sourced from PubChem (CID 74889896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).