2-amino-4-[(2,2-dimethyloxan-4-yl)amino]-N-methylbenzenesulfonamide

C14H23N3O3S — CID 83035007

IUPAC2-amino-4-[(2,2-dimethyloxan-4-yl)amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC2CCOC(C)(C)C2)cc1N
InChIInChI=1S/C14H23N3O3S/c1-14(2)9-11(6-7-20-14)17-10-4-5-13(12(15)8-10)21(18,19)16-3/h4-5,8,11,16-17H,6-7,9,15H2,1-3H3
InChIKeyHXWJAADAJYMRCE-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.55
Rot. Bonds4

About 2-amino-4-[(2,2-dimethyloxan-4-yl)amino]-N-methylbenzenesulfonamide

2-amino-4-[(2,2-dimethyloxan-4-yl)amino]-N-methylbenzenesulfonamide (PubChem CID 83035007) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-amino-4-[(2,2-dimethyloxan-4-yl)amino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-[(2,2-dimethyloxan-4-yl)amino]-N-methylbenzenesulfonamide
PubChem CID83035007
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-amino-4-[(2,2-dimethyloxan-4-yl)amino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC2CCOC(C)(C)C2)cc1N
InChIInChI=1S/C14H23N3O3S/c1-14(2)9-11(6-7-20-14)17-10-4-5-13(12(15)8-10)21(18,19)16-3/h4-5,8,11,16-17H,6-7,9,15H2,1-3H3
InChIKeyHXWJAADAJYMRCE-UHFFFAOYSA-N
XLogP1.55
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-4-[(2,2-dimethyloxan-4-yl)amino]-N-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-[(2,2-dimethylcyclopropyl)amino]-N-methylbenzenesulfonamide
CID 80646229
3-N-(2,2-dimethyloxan-4-yl)benzene-1,3-diamine
CID 83027347
2-amino-N-methyl-4-[(2-methyloxolan-3-yl)amino]benzenesulfonamide
CID 82725123
2-amino-N-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide
CID 80641727
2-amino-N-methyl-4-[(2-methylcyclopropyl)amino]benzenesulfonamide
CID 80646231
3-amino-4-[(2,2-dimethyloxan-4-yl)amino]benzenesulfonamide
CID 83027581
(4R)-N-(4-chlorophenyl)-2,2-dimethyloxan-4-amine
CID 40899638
2-amino-N-methyl-4-[(5-oxopyrrolidin-3-yl)amino]benzenesulfonamide
CID 106183085
4-amino-N-(2,2-dimethyloxan-4-yl)-3-methylbenzenesulfonamide
CID 83026925
1-[4-[(2,2-dimethyloxan-4-yl)amino]phenyl]ethanone
CID 114468372
4-chloro-1-N-(2,2-dimethyloxan-4-yl)benzene-1,2-diamine
CID 83027979
5-amino-N-(2,2-dimethyloxan-4-yl)-2,4-difluorobenzenesulfonamide
CID 83034972

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(2,2-dimethyloxan-4-yl)amino]-N-methylbenzenesulfonamide?
The IUPAC name of 2-amino-4-[(2,2-dimethyloxan-4-yl)amino]-N-methylbenzenesulfonamide (CID 83035007) is 2-amino-4-[(2,2-dimethyloxan-4-yl)amino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4-[(2,2-dimethyloxan-4-yl)amino]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-4-[(2,2-dimethyloxan-4-yl)amino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(NC2CCOC(C)(C)C2)cc1N.
What is the InChIKey of 2-amino-4-[(2,2-dimethyloxan-4-yl)amino]-N-methylbenzenesulfonamide?
The InChIKey is HXWJAADAJYMRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-14(2)9-11(6-7-20-14)17-10-4-5-13(12(15)8-10)21(18,19)16-3/h4-5,8,11,16-17H,6-7,9,15H2,1-3H3.
What are the key properties of 2-amino-4-[(2,2-dimethyloxan-4-yl)amino]-N-methylbenzenesulfonamide?
2-amino-4-[(2,2-dimethyloxan-4-yl)amino]-N-methylbenzenesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(2,2-dimethyloxan-4-yl)amino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 83035007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).