1-(diethylsulfamoylamino)-5-hydroxypentane

C9H22N2O3S — CID 107319491

IUPAC1-(diethylsulfamoylamino)-5-hydroxypentane
SMILESCCN(CC)S(=O)(=O)NCCCCCO
InChIInChI=1S/C9H22N2O3S/c1-3-11(4-2)15(13,14)10-8-6-5-7-9-12/h10,12H,3-9H2,1-2H3
InChIKeyMYRZHYRTQDRHKW-UHFFFAOYSA-N
MW238.35 g/mol
LogP0.33
Rot. Bonds9

About 1-(diethylsulfamoylamino)-5-hydroxypentane

1-(diethylsulfamoylamino)-5-hydroxypentane (PubChem CID 107319491) has the molecular formula C9H22N2O3S and a molecular weight of 238.35 g/mol. Its IUPAC name is 1-(diethylsulfamoylamino)-5-hydroxypentane.

Molecular Properties

Compound Name1-(diethylsulfamoylamino)-5-hydroxypentane
PubChem CID107319491
Molecular FormulaC9H22N2O3S
Molecular Weight238.35 g/mol
Exact Mass238.14
IUPAC Name1-(diethylsulfamoylamino)-5-hydroxypentane
SMILESCCN(CC)S(=O)(=O)NCCCCCO
InChIInChI=1S/C9H22N2O3S/c1-3-11(4-2)15(13,14)10-8-6-5-7-9-12/h10,12H,3-9H2,1-2H3
InChIKeyMYRZHYRTQDRHKW-UHFFFAOYSA-N
XLogP0.33
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(diethylsulfamoylamino)-5-hydroxypentane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-4-(diethylsulfamoylamino)butane
CID 60894331
10-hydroxydecylsulfamic acid
CID 151793979
[5-hydroxypentylsulfamoyl(methyl)amino]cyclohexane
CID 107319547
methyl 3-(diethylsulfamoylamino)propanoate
CID 60713707
methyl 3-[6-hydroxyhexylsulfamoyl(methyl)amino]propanoate
CID 113351676
[5-hydroxypentylsulfamoyl(methyl)amino]methylbenzene
CID 107319507
1-(diethylsulfamoylamino)-4-hydroxy-2-methylbutane
CID 66108866
1-(dipropylsulfamoylamino)-3-(2-hydroxyethoxy)propane
CID 104600519
methyl 3-[4-hydroxybutylsulfamoyl(methyl)amino]propanoate
CID 106840462
sulfuric acid;tetradecan-1-ol
CID 87699970
methyl 2-(5-hydroxypentylsulfamoyl)acetate
CID 107319424
2-amino-1-(diethylsulfamoylamino)-3-hydroxybutane
CID 64539372

Frequently Asked Questions

What is the IUPAC name of 1-(diethylsulfamoylamino)-5-hydroxypentane?
The IUPAC name of 1-(diethylsulfamoylamino)-5-hydroxypentane (CID 107319491) is 1-(diethylsulfamoylamino)-5-hydroxypentane.
What is the SMILES notation for 1-(diethylsulfamoylamino)-5-hydroxypentane?
The canonical SMILES for 1-(diethylsulfamoylamino)-5-hydroxypentane is CCN(CC)S(=O)(=O)NCCCCCO.
What is the InChIKey of 1-(diethylsulfamoylamino)-5-hydroxypentane?
The InChIKey is MYRZHYRTQDRHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O3S/c1-3-11(4-2)15(13,14)10-8-6-5-7-9-12/h10,12H,3-9H2,1-2H3.
What are the key properties of 1-(diethylsulfamoylamino)-5-hydroxypentane?
1-(diethylsulfamoylamino)-5-hydroxypentane has a molecular weight of 238.35 g/mol, XLogP of 0.33, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylsulfamoylamino)-5-hydroxypentane is sourced from PubChem (CID 107319491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).