1-methoxy-4-(methylsulfamoylamino)butan-2-ol

C6H16N2O4S — CID 106245394

IUPAC1-methoxy-4-(methylsulfamoylamino)butan-2-ol
SMILESCNS(=O)(=O)NCCC(O)COC
InChIInChI=1S/C6H16N2O4S/c1-7-13(10,11)8-4-3-6(9)5-12-2/h6-9H,3-5H2,1-2H3
InChIKeyGVPOGDGGKQUSPT-UHFFFAOYSA-N
MW212.27 g/mol
LogP-1.56
Rot. Bonds7

About 1-methoxy-4-(methylsulfamoylamino)butan-2-ol

1-methoxy-4-(methylsulfamoylamino)butan-2-ol (PubChem CID 106245394) has the molecular formula C6H16N2O4S and a molecular weight of 212.27 g/mol. Its IUPAC name is 1-methoxy-4-(methylsulfamoylamino)butan-2-ol.

Molecular Properties

Compound Name1-methoxy-4-(methylsulfamoylamino)butan-2-ol
PubChem CID106245394
Molecular FormulaC6H16N2O4S
Molecular Weight212.27 g/mol
Exact Mass212.08
IUPAC Name1-methoxy-4-(methylsulfamoylamino)butan-2-ol
SMILESCNS(=O)(=O)NCCC(O)COC
InChIInChI=1S/C6H16N2O4S/c1-7-13(10,11)8-4-3-6(9)5-12-2/h6-9H,3-5H2,1-2H3
InChIKeyGVPOGDGGKQUSPT-UHFFFAOYSA-N
XLogP-1.56
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 5-1.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(methylsulfamoylamino)butan-2-ol?
The IUPAC name of 1-methoxy-4-(methylsulfamoylamino)butan-2-ol (CID 106245394) is 1-methoxy-4-(methylsulfamoylamino)butan-2-ol.
What is the SMILES notation for 1-methoxy-4-(methylsulfamoylamino)butan-2-ol?
The canonical SMILES for 1-methoxy-4-(methylsulfamoylamino)butan-2-ol is CNS(=O)(=O)NCCC(O)COC.
What is the InChIKey of 1-methoxy-4-(methylsulfamoylamino)butan-2-ol?
The InChIKey is GVPOGDGGKQUSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O4S/c1-7-13(10,11)8-4-3-6(9)5-12-2/h6-9H,3-5H2,1-2H3.
What are the key properties of 1-methoxy-4-(methylsulfamoylamino)butan-2-ol?
1-methoxy-4-(methylsulfamoylamino)butan-2-ol has a molecular weight of 212.27 g/mol, XLogP of -1.56, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(methylsulfamoylamino)butan-2-ol is sourced from PubChem (CID 106245394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).