4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzenesulfonamide

C13H20N2O3S — CID 112633164

IUPAC4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzenesulfonamide
SMILESCC1(C)C(O)CC1NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H20N2O3S/c1-13(2)11(7-12(13)16)15-8-9-3-5-10(6-4-9)19(14,17)18/h3-6,11-12,15-16H,7-8H2,1-2H3,(H2,14,17,18)
InChIKeyCNOXUCAJJJQSTA-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.58
Rot. Bonds4

About 4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzenesulfonamide

4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzenesulfonamide (PubChem CID 112633164) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzenesulfonamide
PubChem CID112633164
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzenesulfonamide
SMILESCC1(C)C(O)CC1NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H20N2O3S/c1-13(2)11(7-12(13)16)15-8-9-3-5-10(6-4-9)19(14,17)18/h3-6,11-12,15-16H,7-8H2,1-2H3,(H2,14,17,18)
InChIKeyCNOXUCAJJJQSTA-UHFFFAOYSA-N
XLogP0.58
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2,2-dimethyl-1,3-dioxan-5-yl)amino]methyl]benzenesulfonamide
CID 106658015
2,2-dimethyl-3-[(3-methylphenyl)methylamino]cyclobutan-1-ol
CID 112633293
2,2-dimethyl-3-(thiophen-3-ylmethylamino)cyclobutan-1-ol
CID 112634022
(3R)-2,2-dimethyl-5-oxo-N-[(4-sulfamoylphenyl)methyl]oxolane-3-carboxamide
CID 97489455
1-ethyl-3-[(4-sulfamoylphenyl)methyl]urea
CID 24685233
N'-hydroxy-3-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzenecarboximidamide
CID 114629959
2,2-dimethyl-3-[2-(4-nitrophenyl)ethylamino]cyclobutan-1-ol
CID 112633872
3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylbenzenesulfonamide
CID 112633825
2,2-dimethyl-3-(4-propylsulfonylanilino)cyclobutan-1-ol
CID 114630105
6-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]-4H-1,4-benzoxazin-3-one
CID 103075842
1-(4-fluorophenyl)-N-(3-hydroxy-2,2-dimethylcyclobutyl)methanesulfonamide
CID 114631615
3-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]thiophene-2-carboxylic acid
CID 103267220

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzenesulfonamide?
The IUPAC name of 4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzenesulfonamide (CID 112633164) is 4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzenesulfonamide is CC1(C)C(O)CC1NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzenesulfonamide?
The InChIKey is CNOXUCAJJJQSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-13(2)11(7-12(13)16)15-8-9-3-5-10(6-4-9)19(14,17)18/h3-6,11-12,15-16H,7-8H2,1-2H3,(H2,14,17,18).
What are the key properties of 4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzenesulfonamide?
4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzenesulfonamide is sourced from PubChem (CID 112633164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).