1-[1-hydroxypropan-2-ylsulfamoyl(methyl)amino]butane

C8H20N2O3S — CID 43502187

IUPAC1-[1-hydroxypropan-2-ylsulfamoyl(methyl)amino]butane
SMILESCCCCN(C)S(=O)(=O)NC(C)CO
InChIInChI=1S/C8H20N2O3S/c1-4-5-6-10(3)14(12,13)9-8(2)7-11/h8-9,11H,4-7H2,1-3H3
InChIKeyMCMQRGDEEWCBAT-UHFFFAOYSA-N
MW224.33 g/mol
LogP-0.07
Rot. Bonds7

About 1-[1-hydroxypropan-2-ylsulfamoyl(methyl)amino]butane

1-[1-hydroxypropan-2-ylsulfamoyl(methyl)amino]butane (PubChem CID 43502187) has the molecular formula C8H20N2O3S and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-[1-hydroxypropan-2-ylsulfamoyl(methyl)amino]butane.

Molecular Properties

Compound Name1-[1-hydroxypropan-2-ylsulfamoyl(methyl)amino]butane
PubChem CID43502187
Molecular FormulaC8H20N2O3S
Molecular Weight224.33 g/mol
Exact Mass224.12
IUPAC Name1-[1-hydroxypropan-2-ylsulfamoyl(methyl)amino]butane
SMILESCCCCN(C)S(=O)(=O)NC(C)CO
InChIInChI=1S/C8H20N2O3S/c1-4-5-6-10(3)14(12,13)9-8(2)7-11/h8-9,11H,4-7H2,1-3H3
InChIKeyMCMQRGDEEWCBAT-UHFFFAOYSA-N
XLogP-0.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-hydroxypropan-2-ylsulfamoyl(methyl)amino]butane?
The IUPAC name of 1-[1-hydroxypropan-2-ylsulfamoyl(methyl)amino]butane (CID 43502187) is 1-[1-hydroxypropan-2-ylsulfamoyl(methyl)amino]butane.
What is the SMILES notation for 1-[1-hydroxypropan-2-ylsulfamoyl(methyl)amino]butane?
The canonical SMILES for 1-[1-hydroxypropan-2-ylsulfamoyl(methyl)amino]butane is CCCCN(C)S(=O)(=O)NC(C)CO.
What is the InChIKey of 1-[1-hydroxypropan-2-ylsulfamoyl(methyl)amino]butane?
The InChIKey is MCMQRGDEEWCBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O3S/c1-4-5-6-10(3)14(12,13)9-8(2)7-11/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 1-[1-hydroxypropan-2-ylsulfamoyl(methyl)amino]butane?
1-[1-hydroxypropan-2-ylsulfamoyl(methyl)amino]butane has a molecular weight of 224.33 g/mol, XLogP of -0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-hydroxypropan-2-ylsulfamoyl(methyl)amino]butane is sourced from PubChem (CID 43502187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).