N-butyl-3-hydroxy-N-methylazetidine-1-sulfonamide

C8H18N2O3S — CID 63107176

IUPACN-butyl-3-hydroxy-N-methylazetidine-1-sulfonamide
SMILESCCCCN(C)S(=O)(=O)N1CC(O)C1
InChIInChI=1S/C8H18N2O3S/c1-3-4-5-9(2)14(12,13)10-6-8(11)7-10/h8,11H,3-7H2,1-2H3
InChIKeyDBBPEOOOSWTNNP-UHFFFAOYSA-N
MW222.31 g/mol
LogP-0.36
Rot. Bonds5

About N-butyl-3-hydroxy-N-methylazetidine-1-sulfonamide

N-butyl-3-hydroxy-N-methylazetidine-1-sulfonamide (PubChem CID 63107176) has the molecular formula C8H18N2O3S and a molecular weight of 222.31 g/mol. Its IUPAC name is N-butyl-3-hydroxy-N-methylazetidine-1-sulfonamide.

Molecular Properties

Compound NameN-butyl-3-hydroxy-N-methylazetidine-1-sulfonamide
PubChem CID63107176
Molecular FormulaC8H18N2O3S
Molecular Weight222.31 g/mol
Exact Mass222.10
IUPAC NameN-butyl-3-hydroxy-N-methylazetidine-1-sulfonamide
SMILESCCCCN(C)S(=O)(=O)N1CC(O)C1
InChIInChI=1S/C8H18N2O3S/c1-3-4-5-9(2)14(12,13)10-6-8(11)7-10/h8,11H,3-7H2,1-2H3
InChIKeyDBBPEOOOSWTNNP-UHFFFAOYSA-N
XLogP-0.36
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N,N-dimethylazetidine-1-sulfonamide
CID 63106800
2-(dimethylamino)ethanol;N,N-dimethylmethanamine;1-methylazetidin-3-ol
CID 158446153
2-[[Butyl(methyl)sulfamoyl]-ethylamino]ethanol
CID 60957540
2-[[Butyl(methyl)sulfamoyl]-methylamino]ethanol
CID 60961666
2-[[Butyl(methyl)sulfamoyl]-propylamino]ethanol
CID 61425365
2-[Butyl-[butyl(methyl)sulfamoyl]amino]ethanol
CID 61447920
2-[Butyl(dimethylsulfamoyl)amino]ethanol
CID 61448221
2-[Butyl(diethylsulfamoyl)amino]ethanol
CID 61448371
2-[Butyl(dipropylsulfamoyl)amino]ethanol
CID 61448418
1-[[Butyl(methyl)sulfamoyl]-methylamino]propan-2-ol
CID 62332571
1-[Dimethylsulfamoyl(methyl)amino]propan-2-ol
CID 62333145
1-[Diethylsulfamoyl(methyl)amino]propan-2-ol
CID 62333345

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-hydroxy-N-methylazetidine-1-sulfonamide?
The IUPAC name of N-butyl-3-hydroxy-N-methylazetidine-1-sulfonamide (CID 63107176) is N-butyl-3-hydroxy-N-methylazetidine-1-sulfonamide.
What is the SMILES notation for N-butyl-3-hydroxy-N-methylazetidine-1-sulfonamide?
The canonical SMILES for N-butyl-3-hydroxy-N-methylazetidine-1-sulfonamide is CCCCN(C)S(=O)(=O)N1CC(O)C1.
What is the InChIKey of N-butyl-3-hydroxy-N-methylazetidine-1-sulfonamide?
The InChIKey is DBBPEOOOSWTNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3S/c1-3-4-5-9(2)14(12,13)10-6-8(11)7-10/h8,11H,3-7H2,1-2H3.
What are the key properties of N-butyl-3-hydroxy-N-methylazetidine-1-sulfonamide?
N-butyl-3-hydroxy-N-methylazetidine-1-sulfonamide has a molecular weight of 222.31 g/mol, XLogP of -0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-hydroxy-N-methylazetidine-1-sulfonamide is sourced from PubChem (CID 63107176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).