4-amino-N-(2,2-dimethyloxan-4-yl)-3-methylbenzenesulfonamide

C14H22N2O3S — CID 83026925

IUPAC4-amino-N-(2,2-dimethyloxan-4-yl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCOC(C)(C)C2)ccc1N
InChIInChI=1S/C14H22N2O3S/c1-10-8-12(4-5-13(10)15)20(17,18)16-11-6-7-19-14(2,3)9-11/h4-5,8,11,16H,6-7,9,15H2,1-3H3
InChIKeyURDGPKABVXAAHZ-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.81
Rot. Bonds3

About 4-amino-N-(2,2-dimethyloxan-4-yl)-3-methylbenzenesulfonamide

4-amino-N-(2,2-dimethyloxan-4-yl)-3-methylbenzenesulfonamide (PubChem CID 83026925) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 4-amino-N-(2,2-dimethyloxan-4-yl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2,2-dimethyloxan-4-yl)-3-methylbenzenesulfonamide
PubChem CID83026925
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name4-amino-N-(2,2-dimethyloxan-4-yl)-3-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NC2CCOC(C)(C)C2)ccc1N
InChIInChI=1S/C14H22N2O3S/c1-10-8-12(4-5-13(10)15)20(17,18)16-11-6-7-19-14(2,3)9-11/h4-5,8,11,16H,6-7,9,15H2,1-3H3
InChIKeyURDGPKABVXAAHZ-UHFFFAOYSA-N
XLogP1.81
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.81
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

4-amino-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide
CID 83027811
5-amino-N-(2,2-dimethyloxan-4-yl)-2,3-dimethylbenzenesulfonamide
CID 83034968
4-acetyl-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide
CID 115563563
N-(2,2-dimethyloxan-4-yl)-4-(ethylamino)benzenesulfonamide
CID 83035482
N-(2,2-dimethyloxan-4-yl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 83035231
5-amino-N-(2,2-dimethyloxan-4-yl)-2,4-difluorobenzenesulfonamide
CID 83034972
4-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-2-methylbenzenesulfonamide
CID 106997091
2-amino-5-bromo-N-(2,2-dimethyloxan-4-yl)-4-fluorobenzenesulfonamide
CID 106491998
1-N-butyl-4-N-(2,2-dimethyloxan-4-yl)benzene-1,4-disulfonamide
CID 4617022
N-(2,2-dimethyloxan-4-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
CID 648544
4-amino-N-(3-methoxycyclobutyl)-3-methylbenzenesulfonamide
CID 114118595
3-amino-4-[(2,2-dimethyloxan-4-yl)amino]benzenesulfonamide
CID 83027581

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-dimethyloxan-4-yl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-amino-N-(2,2-dimethyloxan-4-yl)-3-methylbenzenesulfonamide (CID 83026925) is 4-amino-N-(2,2-dimethyloxan-4-yl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2,2-dimethyloxan-4-yl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-(2,2-dimethyloxan-4-yl)-3-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NC2CCOC(C)(C)C2)ccc1N.
What is the InChIKey of 4-amino-N-(2,2-dimethyloxan-4-yl)-3-methylbenzenesulfonamide?
The InChIKey is URDGPKABVXAAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-10-8-12(4-5-13(10)15)20(17,18)16-11-6-7-19-14(2,3)9-11/h4-5,8,11,16H,6-7,9,15H2,1-3H3.
What are the key properties of 4-amino-N-(2,2-dimethyloxan-4-yl)-3-methylbenzenesulfonamide?
4-amino-N-(2,2-dimethyloxan-4-yl)-3-methylbenzenesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2-dimethyloxan-4-yl)-3-methylbenzenesulfonamide is sourced from PubChem (CID 83026925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).