4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-methylbenzenesulfonamide

C13H20N2O3S — CID 112633693

IUPAC4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC2CC(O)C2(C)C)cc1
InChIInChI=1S/C13H20N2O3S/c1-13(2)11(8-12(13)16)15-9-4-6-10(7-5-9)19(17,18)14-3/h4-7,11-12,14-16H,8H2,1-3H3
InChIKeyUVKLXJKWWGJHQL-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.17
Rot. Bonds4

About 4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-methylbenzenesulfonamide

4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-methylbenzenesulfonamide (PubChem CID 112633693) 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]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-methylbenzenesulfonamide
PubChem CID112633693
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC2CC(O)C2(C)C)cc1
InChIInChI=1S/C13H20N2O3S/c1-13(2)11(8-12(13)16)15-9-4-6-10(7-5-9)19(17,18)14-3/h4-7,11-12,14-16H,8H2,1-3H3
InChIKeyUVKLXJKWWGJHQL-UHFFFAOYSA-N
XLogP1.17
TPSA78.43 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 ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-3-(4-propylsulfonylanilino)cyclobutan-1-ol
CID 114630105
N-[4-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]phenyl]acetamide
CID 114631628
2,2-dimethyl-3-(4-propan-2-ylanilino)cyclobutan-1-ol
CID 112633171
2,2-dimethyl-3-(4-propylanilino)cyclobutan-1-ol
CID 112633298
N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-propan-2-ylbenzenesulfonamide
CID 114631600
N-cyclopropyl-4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]benzamide
CID 115972221
3-(3,4-diaminoanilino)-2,2-dimethylcyclobutan-1-ol
CID 106751240
2,2-dimethyl-3-[4-(triazol-2-yl)anilino]cyclobutan-1-ol
CID 112633683
2,2-dimethyl-3-[[6-(trifluoromethyl)-3-pyridinyl]amino]cyclobutan-1-ol
CID 112634249
3-(4-amino-3-methylanilino)-2,2-dimethylcyclobutan-1-ol
CID 114628567
2,2-dimethyl-3-[(6-methyl-3-pyridinyl)amino]cyclobutan-1-ol
CID 112634209
2-chloro-5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-methylbenzamide
CID 112633806

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-methylbenzenesulfonamide (CID 112633693) is 4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(NC2CC(O)C2(C)C)cc1.
What is the InChIKey of 4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-methylbenzenesulfonamide?
The InChIKey is UVKLXJKWWGJHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-13(2)11(8-12(13)16)15-9-4-6-10(7-5-9)19(17,18)14-3/h4-7,11-12,14-16H,8H2,1-3H3.
What are the key properties of 4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-methylbenzenesulfonamide?
4-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-N-methylbenzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.17, 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]-N-methylbenzenesulfonamide is sourced from PubChem (CID 112633693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).