2-[[methyl(propan-2-yl)sulfamoyl]-propylamino]ethanol

C9H22N2O3S — CID 61453832

IUPAC2-[[methyl(propan-2-yl)sulfamoyl]-propylamino]ethanol
SMILESCCCN(CCO)S(=O)(=O)N(C)C(C)C
InChIInChI=1S/C9H22N2O3S/c1-5-6-11(7-8-12)15(13,14)10(4)9(2)3/h9,12H,5-8H2,1-4H3
InChIKeyAWSZKEJCOUCKGV-UHFFFAOYSA-N
MW238.35 g/mol
LogP0.28
Rot. Bonds7

About 2-[[methyl(propan-2-yl)sulfamoyl]-propylamino]ethanol

2-[[methyl(propan-2-yl)sulfamoyl]-propylamino]ethanol (PubChem CID 61453832) has the molecular formula C9H22N2O3S and a molecular weight of 238.35 g/mol. Its IUPAC name is 2-[[methyl(propan-2-yl)sulfamoyl]-propylamino]ethanol.

Molecular Properties

Compound Name2-[[methyl(propan-2-yl)sulfamoyl]-propylamino]ethanol
PubChem CID61453832
Molecular FormulaC9H22N2O3S
Molecular Weight238.35 g/mol
Exact Mass238.14
IUPAC Name2-[[methyl(propan-2-yl)sulfamoyl]-propylamino]ethanol
SMILESCCCN(CCO)S(=O)(=O)N(C)C(C)C
InChIInChI=1S/C9H22N2O3S/c1-5-6-11(7-8-12)15(13,14)10(4)9(2)3/h9,12H,5-8H2,1-4H3
InChIKeyAWSZKEJCOUCKGV-UHFFFAOYSA-N
XLogP0.28
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(propan-2-yl)sulfamoyl]-propylamino]ethanol?
The IUPAC name of 2-[[methyl(propan-2-yl)sulfamoyl]-propylamino]ethanol (CID 61453832) is 2-[[methyl(propan-2-yl)sulfamoyl]-propylamino]ethanol.
What is the SMILES notation for 2-[[methyl(propan-2-yl)sulfamoyl]-propylamino]ethanol?
The canonical SMILES for 2-[[methyl(propan-2-yl)sulfamoyl]-propylamino]ethanol is CCCN(CCO)S(=O)(=O)N(C)C(C)C.
What is the InChIKey of 2-[[methyl(propan-2-yl)sulfamoyl]-propylamino]ethanol?
The InChIKey is AWSZKEJCOUCKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O3S/c1-5-6-11(7-8-12)15(13,14)10(4)9(2)3/h9,12H,5-8H2,1-4H3.
What are the key properties of 2-[[methyl(propan-2-yl)sulfamoyl]-propylamino]ethanol?
2-[[methyl(propan-2-yl)sulfamoyl]-propylamino]ethanol has a molecular weight of 238.35 g/mol, XLogP of 0.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(propan-2-yl)sulfamoyl]-propylamino]ethanol is sourced from PubChem (CID 61453832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).