6-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,3-dimethylbenzenesulfonamide

C14H22N2O3S — CID 114628511

IUPAC6-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,3-dimethylbenzenesulfonamide
SMILESCc1ccc(N)c(S(=O)(=O)NC2CC(O)C2(C)C)c1C
InChIInChI=1S/C14H22N2O3S/c1-8-5-6-10(15)13(9(8)2)20(18,19)16-11-7-12(17)14(11,3)4/h5-6,11-12,16-17H,7,15H2,1-4H3
InChIKeyWFQJRHWKOXUMSI-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.32
Rot. Bonds3

About 6-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,3-dimethylbenzenesulfonamide

6-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,3-dimethylbenzenesulfonamide (PubChem CID 114628511) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 6-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name6-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,3-dimethylbenzenesulfonamide
PubChem CID114628511
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name6-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,3-dimethylbenzenesulfonamide
SMILESCc1ccc(N)c(S(=O)(=O)NC2CC(O)C2(C)C)c1C
InChIInChI=1S/C14H22N2O3S/c1-8-5-6-10(15)13(9(8)2)20(18,19)16-11-7-12(17)14(11,3)4/h5-6,11-12,16-17H,7,15H2,1-4H3
InChIKeyWFQJRHWKOXUMSI-UHFFFAOYSA-N
XLogP1.32
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-3,6-dimethylbenzenesulfonamide
CID 103171883
4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,6-dimethylbenzenesulfonamide
CID 114628526
4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,6-dimethylbenzenesulfonamide
CID 107327543
4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide
CID 114628487
4-amino-2,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 114628394
6-amino-N-[(1S,2S)-2-hydroxycyclohexyl]-2,3-dimethylbenzenesulfonamide
CID 107213458
2-amino-4,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 114628509
2,6-dichloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 114631595
N-(3-hydroxy-2,2-dimethylcyclobutyl)-2-methylbenzenesulfonamide
CID 114631542
3-[(3-hydroxy-2,2-dimethylcyclobutyl)sulfamoyl]-4-methylbenzoic acid
CID 114628921
3-amino-2-bromo-5-chloro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 114628401
5-amino-2-bromo-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 114628382

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,3-dimethylbenzenesulfonamide?
The IUPAC name of 6-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,3-dimethylbenzenesulfonamide (CID 114628511) is 6-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 6-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for 6-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,3-dimethylbenzenesulfonamide is Cc1ccc(N)c(S(=O)(=O)NC2CC(O)C2(C)C)c1C.
What is the InChIKey of 6-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,3-dimethylbenzenesulfonamide?
The InChIKey is WFQJRHWKOXUMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-8-5-6-10(15)13(9(8)2)20(18,19)16-11-7-12(17)14(11,3)4/h5-6,11-12,16-17H,7,15H2,1-4H3.
What are the key properties of 6-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,3-dimethylbenzenesulfonamide?
6-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,3-dimethylbenzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 114628511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).