3-amino-2,6-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide

C13H20N2O3S — CID 61114424

IUPAC3-amino-2,6-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
SMILESCc1ccc(N)c(C)c1S(=O)(=O)NCC1CCOC1
InChIInChI=1S/C13H20N2O3S/c1-9-3-4-12(14)10(2)13(9)19(16,17)15-7-11-5-6-18-8-11/h3-4,11,15H,5-8,14H2,1-2H3
InChIKeyPQYAQYYYXFQBQY-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.20
Rot. Bonds4

About 3-amino-2,6-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide

3-amino-2,6-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide (PubChem CID 61114424) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 3-amino-2,6-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,6-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
PubChem CID61114424
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name3-amino-2,6-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
SMILESCc1ccc(N)c(C)c1S(=O)(=O)NCC1CCOC1
InChIInChI=1S/C13H20N2O3S/c1-9-3-4-12(14)10(2)13(9)19(16,17)15-7-11-5-6-18-8-11/h3-4,11,15H,5-8,14H2,1-2H3
InChIKeyPQYAQYYYXFQBQY-UHFFFAOYSA-N
XLogP1.20
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(cyclopropylmethyl)-2,6-dimethylbenzenesulfonamide
CID 43257138
4-amino-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61114420
3-amino-2,6-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 79079568
3-amino-5-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61116503
3-amino-5-chloro-2-methyl-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 114379143
3-amino-4-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63725059
3-amino-2,4-difluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 107343305
5-amino-2-fluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61116313
N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 47203502
4-methyl-3-(oxolan-3-ylmethylsulfamoyl)benzoic acid
CID 60920449
3-amino-N-cyclopropyl-2,6-dimethylbenzenesulfonamide
CID 43256969
4-amino-N-(oxolan-3-ylmethyl)thiophene-2-sulfonamide
CID 61300759

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,6-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-amino-2,6-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide (CID 61114424) is 3-amino-2,6-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2,6-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-amino-2,6-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide is Cc1ccc(N)c(C)c1S(=O)(=O)NCC1CCOC1.
What is the InChIKey of 3-amino-2,6-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
The InChIKey is PQYAQYYYXFQBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9-3-4-12(14)10(2)13(9)19(16,17)15-7-11-5-6-18-8-11/h3-4,11,15H,5-8,14H2,1-2H3.
What are the key properties of 3-amino-2,6-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide?
3-amino-2,6-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,6-dimethyl-N-(oxolan-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 61114424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).