2-(2-methylsulfinylethylamino)ethanesulfonamide

C5H14N2O3S2 — CID 114385199

IUPAC2-(2-methylsulfinylethylamino)ethanesulfonamide
SMILESCS(=O)CCNCCS(N)(=O)=O
InChIInChI=1S/C5H14N2O3S2/c1-11(8)4-2-7-3-5-12(6,9)10/h7H,2-5H2,1H3,(H2,6,9,10)
InChIKeyBMNWMOQCHKYYMV-UHFFFAOYSA-N
MW214.31 g/mol
LogP-1.76
Rot. Bonds6

About 2-(2-methylsulfinylethylamino)ethanesulfonamide

2-(2-methylsulfinylethylamino)ethanesulfonamide (PubChem CID 114385199) has the molecular formula C5H14N2O3S2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(2-methylsulfinylethylamino)ethanesulfonamide.

Molecular Properties

Compound Name2-(2-methylsulfinylethylamino)ethanesulfonamide
PubChem CID114385199
Molecular FormulaC5H14N2O3S2
Molecular Weight214.31 g/mol
Exact Mass214.04
IUPAC Name2-(2-methylsulfinylethylamino)ethanesulfonamide
SMILESCS(=O)CCNCCS(N)(=O)=O
InChIInChI=1S/C5H14N2O3S2/c1-11(8)4-2-7-3-5-12(6,9)10/h7H,2-5H2,1H3,(H2,6,9,10)
InChIKeyBMNWMOQCHKYYMV-UHFFFAOYSA-N
XLogP-1.76
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-1.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methylsulfinyl-N-(2-propan-2-ylsulfonylethyl)ethanamine
CID 106724434
2-(pentylamino)ethanesulfonamide
CID 43551719
2-[2-(4-methylpiperazin-1-yl)ethylamino]ethanesulfonamide
CID 114384829
2-(2-ethoxyethylamino)ethanesulfonamide
CID 114384811
2-(2,2-dimethylpropylamino)ethanesulfonamide
CID 61326165
2-(2-oxopropylamino)ethanesulfonamide
CID 157109351
2-[3-[methyl(propan-2-yl)amino]propylamino]ethanesulfonamide
CID 106044314
2-(3-methylsulfanylbutylamino)ethanesulfonamide
CID 114385215
4-(2-sulfamoylethylamino)butanoic acid
CID 114385317
2-(5,5,5-trifluoropentylamino)ethanesulfonamide
CID 114385128
2-(2-pyrrolidin-1-ylpropylamino)ethanesulfonamide
CID 114385119
N-(cyclopropylmethyl)-2-methylsulfinylethanamine
CID 115632660

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfinylethylamino)ethanesulfonamide?
The IUPAC name of 2-(2-methylsulfinylethylamino)ethanesulfonamide (CID 114385199) is 2-(2-methylsulfinylethylamino)ethanesulfonamide.
What is the SMILES notation for 2-(2-methylsulfinylethylamino)ethanesulfonamide?
The canonical SMILES for 2-(2-methylsulfinylethylamino)ethanesulfonamide is CS(=O)CCNCCS(N)(=O)=O.
What is the InChIKey of 2-(2-methylsulfinylethylamino)ethanesulfonamide?
The InChIKey is BMNWMOQCHKYYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O3S2/c1-11(8)4-2-7-3-5-12(6,9)10/h7H,2-5H2,1H3,(H2,6,9,10).
What are the key properties of 2-(2-methylsulfinylethylamino)ethanesulfonamide?
2-(2-methylsulfinylethylamino)ethanesulfonamide has a molecular weight of 214.31 g/mol, XLogP of -1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfinylethylamino)ethanesulfonamide is sourced from PubChem (CID 114385199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).