N,N-diethyl-3-hydroxyazetidine-1-sulfonamide

C7H16N2O3S — CID 63106993

IUPACN,N-diethyl-3-hydroxyazetidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CC(O)C1
InChIInChI=1S/C7H16N2O3S/c1-3-8(4-2)13(11,12)9-5-7(10)6-9/h7,10H,3-6H2,1-2H3
InChIKeyPLKRJHMKNUOZDF-UHFFFAOYSA-N
MW208.28 g/mol
LogP-0.75
Rot. Bonds4

About N,N-diethyl-3-hydroxyazetidine-1-sulfonamide

N,N-diethyl-3-hydroxyazetidine-1-sulfonamide (PubChem CID 63106993) has the molecular formula C7H16N2O3S and a molecular weight of 208.28 g/mol. Its IUPAC name is N,N-diethyl-3-hydroxyazetidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-3-hydroxyazetidine-1-sulfonamide
PubChem CID63106993
Molecular FormulaC7H16N2O3S
Molecular Weight208.28 g/mol
Exact Mass208.09
IUPAC NameN,N-diethyl-3-hydroxyazetidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CC(O)C1
InChIInChI=1S/C7H16N2O3S/c1-3-8(4-2)13(11,12)9-5-7(10)6-9/h7,10H,3-6H2,1-2H3
InChIKeyPLKRJHMKNUOZDF-UHFFFAOYSA-N
XLogP-0.75
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Hydroxyazetidine-1-sulfonamide
CID 70348069
3-hydroxy-N-methylazetidine-1-sulfonamide
CID 59999318
3-hydroxy-N,N-dimethylazetidine-1-sulfonamide
CID 63106800
Bis(2-hydroxyethyl)sulfamic acid;propan-2-ol
CID 87524195
2-[Dimethylsulfamoyl(propyl)amino]ethanol
CID 61425466
1-[Dimethylsulfamoyl(methyl)amino]propan-2-ol
CID 62333145
1-[Diethylsulfamoyl(methyl)amino]propan-2-ol
CID 62333345
1-[Dipropylsulfamoyl(methyl)amino]propan-2-ol
CID 62334275
3-hydroxy-N-methyl-N-propan-2-ylazetidine-1-sulfonamide
CID 63104577
3-hydroxy-N,N-dipropylazetidine-1-sulfonamide
CID 63105322
N-butyl-3-hydroxy-N-methylazetidine-1-sulfonamide
CID 63107176
1-[Dimethylsulfamoyl(2-hydroxyethyl)amino]propan-2-ol
CID 112508100

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-hydroxyazetidine-1-sulfonamide?
The IUPAC name of N,N-diethyl-3-hydroxyazetidine-1-sulfonamide (CID 63106993) is N,N-diethyl-3-hydroxyazetidine-1-sulfonamide.
What is the SMILES notation for N,N-diethyl-3-hydroxyazetidine-1-sulfonamide?
The canonical SMILES for N,N-diethyl-3-hydroxyazetidine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CC(O)C1.
What is the InChIKey of N,N-diethyl-3-hydroxyazetidine-1-sulfonamide?
The InChIKey is PLKRJHMKNUOZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3S/c1-3-8(4-2)13(11,12)9-5-7(10)6-9/h7,10H,3-6H2,1-2H3.
What are the key properties of N,N-diethyl-3-hydroxyazetidine-1-sulfonamide?
N,N-diethyl-3-hydroxyazetidine-1-sulfonamide has a molecular weight of 208.28 g/mol, XLogP of -0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-hydroxyazetidine-1-sulfonamide is sourced from PubChem (CID 63106993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).