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

C13H20N2O3S — CID 112633825

IUPAC3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylbenzenesulfonamide
SMILESCc1c(NC2CC(O)C2(C)C)cccc1S(N)(=O)=O
InChIInChI=1S/C13H20N2O3S/c1-8-9(5-4-6-10(8)19(14,17)18)15-11-7-12(16)13(11,2)3/h4-6,11-12,15-16H,7H2,1-3H3,(H2,14,17,18)
InChIKeyQBIAMANQYUOEBH-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.21
Rot. Bonds3

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

3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylbenzenesulfonamide (PubChem CID 112633825) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylbenzenesulfonamide
PubChem CID112633825
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylbenzenesulfonamide
SMILESCc1c(NC2CC(O)C2(C)C)cccc1S(N)(=O)=O
InChIInChI=1S/C13H20N2O3S/c1-8-9(5-4-6-10(8)19(14,17)18)15-11-7-12(16)13(11,2)3/h4-6,11-12,15-16H,7H2,1-3H3,(H2,14,17,18)
InChIKeyQBIAMANQYUOEBH-UHFFFAOYSA-N
XLogP1.21
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,2-dimethylcyclohexyl)amino]-2-methylbenzenesulfonamide
CID 79836934
3-[(4,4-dimethylthian-3-yl)amino]-2-methylbenzenesulfonamide
CID 79948443
2,2-dimethyl-3-(2-propylsulfonylanilino)cyclobutan-1-ol
CID 114630104
2-methyl-3-[(3-methylcyclobutyl)amino]benzenesulfonamide
CID 103561715
3-[(3-methoxycyclobutyl)amino]-2-methylbenzenesulfonamide
CID 106821455
3-[2-(1-hydroxyethyl)anilino]-2,2-dimethylcyclobutan-1-ol
CID 112633908
2-methyl-3-[(2,4,4-trimethylcyclohexyl)amino]benzenesulfonamide
CID 81303161
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide
CID 114631542
2-methyl-3-[(5-methylthiolan-3-yl)amino]benzenesulfonamide
CID 79949483
2-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 114631512
3-(2-amino-4-methylanilino)-2,2-dimethylcyclobutan-1-ol
CID 114628604
4-[[(3-hydroxy-2,2-dimethylcyclobutyl)amino]methyl]benzenesulfonamide
CID 112633164

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylbenzenesulfonamide?
The IUPAC name of 3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylbenzenesulfonamide (CID 112633825) is 3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylbenzenesulfonamide?
The canonical SMILES for 3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylbenzenesulfonamide is Cc1c(NC2CC(O)C2(C)C)cccc1S(N)(=O)=O.
What is the InChIKey of 3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylbenzenesulfonamide?
The InChIKey is QBIAMANQYUOEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-8-9(5-4-6-10(8)19(14,17)18)15-11-7-12(16)13(11,2)3/h4-6,11-12,15-16H,7H2,1-3H3,(H2,14,17,18).
What are the key properties of 3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylbenzenesulfonamide?
3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylbenzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.21, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-methylbenzenesulfonamide is sourced from PubChem (CID 112633825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).