1-[3-hydroxypropylsulfamoyl(methyl)amino]butane

C8H20N2O3S — CID 43501497

IUPAC1-[3-hydroxypropylsulfamoyl(methyl)amino]butane
SMILESCCCCN(C)S(=O)(=O)NCCCO
InChIInChI=1S/C8H20N2O3S/c1-3-4-7-10(2)14(12,13)9-6-5-8-11/h9,11H,3-8H2,1-2H3
InChIKeyYUTKCYJXMHYZQV-UHFFFAOYSA-N
MW224.33 g/mol
LogP-0.06
Rot. Bonds8

About 1-[3-hydroxypropylsulfamoyl(methyl)amino]butane

1-[3-hydroxypropylsulfamoyl(methyl)amino]butane (PubChem CID 43501497) has the molecular formula C8H20N2O3S and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-[3-hydroxypropylsulfamoyl(methyl)amino]butane.

Molecular Properties

Compound Name1-[3-hydroxypropylsulfamoyl(methyl)amino]butane
PubChem CID43501497
Molecular FormulaC8H20N2O3S
Molecular Weight224.33 g/mol
Exact Mass224.12
IUPAC Name1-[3-hydroxypropylsulfamoyl(methyl)amino]butane
SMILESCCCCN(C)S(=O)(=O)NCCCO
InChIInChI=1S/C8H20N2O3S/c1-3-4-7-10(2)14(12,13)9-6-5-8-11/h9,11H,3-8H2,1-2H3
InChIKeyYUTKCYJXMHYZQV-UHFFFAOYSA-N
XLogP-0.06
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-hydroxypropylsulfamoyl(methyl)amino]butane?
The IUPAC name of 1-[3-hydroxypropylsulfamoyl(methyl)amino]butane (CID 43501497) is 1-[3-hydroxypropylsulfamoyl(methyl)amino]butane.
What is the SMILES notation for 1-[3-hydroxypropylsulfamoyl(methyl)amino]butane?
The canonical SMILES for 1-[3-hydroxypropylsulfamoyl(methyl)amino]butane is CCCCN(C)S(=O)(=O)NCCCO.
What is the InChIKey of 1-[3-hydroxypropylsulfamoyl(methyl)amino]butane?
The InChIKey is YUTKCYJXMHYZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O3S/c1-3-4-7-10(2)14(12,13)9-6-5-8-11/h9,11H,3-8H2,1-2H3.
What are the key properties of 1-[3-hydroxypropylsulfamoyl(methyl)amino]butane?
1-[3-hydroxypropylsulfamoyl(methyl)amino]butane has a molecular weight of 224.33 g/mol, XLogP of -0.06, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-hydroxypropylsulfamoyl(methyl)amino]butane is sourced from PubChem (CID 43501497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).