1-[ethyl(sulfamoyl)amino]-3-hydroxypropane

C5H14N2O3S — CID 115665301

IUPAC1-[ethyl(sulfamoyl)amino]-3-hydroxypropane
SMILESCCN(CCCO)S(N)(=O)=O
InChIInChI=1S/C5H14N2O3S/c1-2-7(4-3-5-8)11(6,9)10/h8H,2-5H2,1H3,(H2,6,9,10)
InChIKeyNSMUDXYHHJOQTK-UHFFFAOYSA-N
MW182.24 g/mol
LogP-1.11
Rot. Bonds5

About 1-[ethyl(sulfamoyl)amino]-3-hydroxypropane

1-[ethyl(sulfamoyl)amino]-3-hydroxypropane (PubChem CID 115665301) has the molecular formula C5H14N2O3S and a molecular weight of 182.24 g/mol. Its IUPAC name is 1-[ethyl(sulfamoyl)amino]-3-hydroxypropane.

Molecular Properties

Compound Name1-[ethyl(sulfamoyl)amino]-3-hydroxypropane
PubChem CID115665301
Molecular FormulaC5H14N2O3S
Molecular Weight182.24 g/mol
Exact Mass182.07
IUPAC Name1-[ethyl(sulfamoyl)amino]-3-hydroxypropane
SMILESCCN(CCCO)S(N)(=O)=O
InChIInChI=1S/C5H14N2O3S/c1-2-7(4-3-5-8)11(6,9)10/h8H,2-5H2,1H3,(H2,6,9,10)
InChIKeyNSMUDXYHHJOQTK-UHFFFAOYSA-N
XLogP-1.11
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Fluoro-1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane
CID 164758075
2,2-Difluoro-1-hydroxy-3-[propan-2-yl(sulfamoyl)amino]propane
CID 167049004
1-[Ethyl(2,2,2-trifluoroethylsulfamoyl)amino]-3-hydroxypropane
CID 114809789
1-Hydroxy-3-[methyl(methylsulfamoyl)amino]propane
CID 65744216
1-Hydroxy-1-[1-hydroxypropyl(sulfamoyl)amino]propane
CID 87205330
1-Hydroxy-1-[1-hydroxybutyl(sulfamoyl)amino]butane
CID 87205333
1-Hydroxy-1-[1-hydroxyethyl(sulfamoyl)amino]ethane
CID 87205353
1-Hydroxy-3-[3-hydroxypropyl(sulfamoyl)amino]propane
CID 87213097
Bis(3-hydroxypropyl)sulfamic acid
CID 90006444
1-Hydroxyethyl(1-hydroxypropyl)sulfamic acid
CID 163212983
Diazanium;3-(diethylamino)propan-1-ol;sulfate
CID 172707581
1-[1-Hydroxypropyl(sulfanyl)amino]propan-1-ol
CID 175184253

Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(sulfamoyl)amino]-3-hydroxypropane?
The IUPAC name of 1-[ethyl(sulfamoyl)amino]-3-hydroxypropane (CID 115665301) is 1-[ethyl(sulfamoyl)amino]-3-hydroxypropane.
What is the SMILES notation for 1-[ethyl(sulfamoyl)amino]-3-hydroxypropane?
The canonical SMILES for 1-[ethyl(sulfamoyl)amino]-3-hydroxypropane is CCN(CCCO)S(N)(=O)=O.
What is the InChIKey of 1-[ethyl(sulfamoyl)amino]-3-hydroxypropane?
The InChIKey is NSMUDXYHHJOQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O3S/c1-2-7(4-3-5-8)11(6,9)10/h8H,2-5H2,1H3,(H2,6,9,10).
What are the key properties of 1-[ethyl(sulfamoyl)amino]-3-hydroxypropane?
1-[ethyl(sulfamoyl)amino]-3-hydroxypropane has a molecular weight of 182.24 g/mol, XLogP of -1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(sulfamoyl)amino]-3-hydroxypropane is sourced from PubChem (CID 115665301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).