2-ethyl-2-(methylsulfamoylamino)propane-1,3-diol

C6H16N2O4S — CID 107866794

IUPAC2-ethyl-2-(methylsulfamoylamino)propane-1,3-diol
SMILESCCC(CO)(CO)NS(=O)(=O)NC
InChIInChI=1S/C6H16N2O4S/c1-3-6(4-9,5-10)8-13(11,12)7-2/h7-10H,3-5H2,1-2H3
InChIKeyAMIPZDIJAJSBDS-UHFFFAOYSA-N
MW212.27 g/mol
LogP-1.83
Rot. Bonds6

About 2-ethyl-2-(methylsulfamoylamino)propane-1,3-diol

2-ethyl-2-(methylsulfamoylamino)propane-1,3-diol (PubChem CID 107866794) has the molecular formula C6H16N2O4S and a molecular weight of 212.27 g/mol. Its IUPAC name is 2-ethyl-2-(methylsulfamoylamino)propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-(methylsulfamoylamino)propane-1,3-diol
PubChem CID107866794
Molecular FormulaC6H16N2O4S
Molecular Weight212.27 g/mol
Exact Mass212.08
IUPAC Name2-ethyl-2-(methylsulfamoylamino)propane-1,3-diol
SMILESCCC(CO)(CO)NS(=O)(=O)NC
InChIInChI=1S/C6H16N2O4S/c1-3-6(4-9,5-10)8-13(11,12)7-2/h7-10H,3-5H2,1-2H3
InChIKeyAMIPZDIJAJSBDS-UHFFFAOYSA-N
XLogP-1.83
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 5-1.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]sulfamoyl]carbamate
CID 107866829
methyl N-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]carbamate
CID 114464184
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]prop-2-ene-1-sulfonamide
CID 107866738
N-[3-(hydroxymethyl)pentan-3-yl]-2-methoxyethanesulfonamide
CID 62521960
2-methyl-2-(methylsulfamoylamino)butanenitrile
CID 114807719
2-ethyl-2-(2-methylsulfonylethylamino)butan-1-ol
CID 62517259
1-hydroxy-2-methyl-2-(sulfamoylamino)butane
CID 112696365
4-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]-N-methylbenzamide
CID 62521256
[1-hydroxy-2-(hydroxymethyl)butan-2-yl]carbamic acid
CID 54273301
2-(2-tert-butylsulfonylethylamino)-2-ethylpropane-1,3-diol
CID 107865483
2-ethyl-2-(1-methylsulfonylpropan-2-ylamino)propane-1,3-diol
CID 103935626
2-(hydroxymethyl)-2-(2-methoxyethylsulfamoylamino)propane-1,3-diol
CID 107848380

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(methylsulfamoylamino)propane-1,3-diol?
The IUPAC name of 2-ethyl-2-(methylsulfamoylamino)propane-1,3-diol (CID 107866794) is 2-ethyl-2-(methylsulfamoylamino)propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-(methylsulfamoylamino)propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-(methylsulfamoylamino)propane-1,3-diol is CCC(CO)(CO)NS(=O)(=O)NC.
What is the InChIKey of 2-ethyl-2-(methylsulfamoylamino)propane-1,3-diol?
The InChIKey is AMIPZDIJAJSBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O4S/c1-3-6(4-9,5-10)8-13(11,12)7-2/h7-10H,3-5H2,1-2H3.
What are the key properties of 2-ethyl-2-(methylsulfamoylamino)propane-1,3-diol?
2-ethyl-2-(methylsulfamoylamino)propane-1,3-diol has a molecular weight of 212.27 g/mol, XLogP of -1.83, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(methylsulfamoylamino)propane-1,3-diol is sourced from PubChem (CID 107866794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).