1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane

C6H16N2O3S — CID 112689196

IUPAC1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane
SMILESCC(C)N(CCCO)S(N)(=O)=O
InChIInChI=1S/C6H16N2O3S/c1-6(2)8(4-3-5-9)12(7,10)11/h6,9H,3-5H2,1-2H3,(H2,7,10,11)
InChIKeyFPXPPTAARYDDBK-UHFFFAOYSA-N
MW196.27 g/mol
LogP-0.72
Rot. Bonds5

About 1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane

1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane (PubChem CID 112689196) has the molecular formula C6H16N2O3S and a molecular weight of 196.27 g/mol. Its IUPAC name is 1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane.

Molecular Properties

Compound Name1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane
PubChem CID112689196
Molecular FormulaC6H16N2O3S
Molecular Weight196.27 g/mol
Exact Mass196.09
IUPAC Name1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane
SMILESCC(C)N(CCCO)S(N)(=O)=O
InChIInChI=1S/C6H16N2O3S/c1-6(2)8(4-3-5-9)12(7,10)11/h6,9H,3-5H2,1-2H3,(H2,7,10,11)
InChIKeyFPXPPTAARYDDBK-UHFFFAOYSA-N
XLogP-0.72
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-hydroxypropyl(propan-2-yl)sulfamoyl]propanoic acid
CID 61457845
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CID 103521342
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N-(3-hydroxypropyl)-4-methyl-N-propan-2-ylbenzenesulfonamide
CID 54916389
1-[bis(trimethylsilyl)methyl-sulfamoylamino]-2-hydroxyethane
CID 23130195
2-[propan-2-yl(sulfamoyl)amino]acetamide
CID 112684098
4-chloro-N-(3-hydroxypropyl)-N-propan-2-ylbenzenesulfonamide
CID 54916437
1-(3-hydroxypropyl)-1-propan-2-ylurea
CID 61040269
3-amino-5-fluoro-N-(3-hydroxypropyl)-N-propan-2-ylbenzenesulfonamide
CID 55205685
3-amino-N-(3-hydroxypropyl)-1-methyl-N-propan-2-ylpyrazole-4-sulfonamide
CID 61126800
1-(3-aminophenyl)-N-(3-hydroxypropyl)-N-propan-2-ylmethanesulfonamide
CID 61125836
4-amino-3-chloro-N-(3-hydroxypropyl)-N-propan-2-ylbenzenesulfonamide
CID 115329913

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane?
The IUPAC name of 1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane (CID 112689196) is 1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane.
What is the SMILES notation for 1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane?
The canonical SMILES for 1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane is CC(C)N(CCCO)S(N)(=O)=O.
What is the InChIKey of 1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane?
The InChIKey is FPXPPTAARYDDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O3S/c1-6(2)8(4-3-5-9)12(7,10)11/h6,9H,3-5H2,1-2H3,(H2,7,10,11).
What are the key properties of 1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane?
1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane has a molecular weight of 196.27 g/mol, XLogP of -0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane is sourced from PubChem (CID 112689196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).