5-amino-N-(2,2-dimethyloxan-4-yl)-2,3-dimethylbenzenesulfonamide

C15H24N2O3S — CID 83034968

IUPAC5-amino-N-(2,2-dimethyloxan-4-yl)-2,3-dimethylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NC2CCOC(C)(C)C2)c1C
InChIInChI=1S/C15H24N2O3S/c1-10-7-12(16)8-14(11(10)2)21(18,19)17-13-5-6-20-15(3,4)9-13/h7-8,13,17H,5-6,9,16H2,1-4H3
InChIKeyFYLCJGSRJWFSLC-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.12
Rot. Bonds3

About 5-amino-N-(2,2-dimethyloxan-4-yl)-2,3-dimethylbenzenesulfonamide

5-amino-N-(2,2-dimethyloxan-4-yl)-2,3-dimethylbenzenesulfonamide (PubChem CID 83034968) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 5-amino-N-(2,2-dimethyloxan-4-yl)-2,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(2,2-dimethyloxan-4-yl)-2,3-dimethylbenzenesulfonamide
PubChem CID83034968
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name5-amino-N-(2,2-dimethyloxan-4-yl)-2,3-dimethylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NC2CCOC(C)(C)C2)c1C
InChIInChI=1S/C15H24N2O3S/c1-10-7-12(16)8-14(11(10)2)21(18,19)17-13-5-6-20-15(3,4)9-13/h7-8,13,17H,5-6,9,16H2,1-4H3
InChIKeyFYLCJGSRJWFSLC-UHFFFAOYSA-N
XLogP2.12
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.12
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-(aminomethyl)-N-(2,2-dimethyloxan-4-yl)-2-methylbenzenesulfonamide
CID 106997091
4-amino-N-(2,2-dimethyloxan-4-yl)-3-methylbenzenesulfonamide
CID 83026925
5-amino-N-(2,2-dimethyloxan-4-yl)-2,4-difluorobenzenesulfonamide
CID 83034972
4-amino-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide
CID 83027811
N-(2,2-dimethyloxan-4-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 115563568
2-amino-5-bromo-N-(2,2-dimethyloxan-4-yl)-4-fluorobenzenesulfonamide
CID 106491998
2-bromo-N-(2,2-dimethyloxan-4-yl)-4-fluorobenzenesulfonamide
CID 115563559
N-(2,2-dimethyloxan-4-yl)-2-(methylamino)benzenesulfonamide
CID 83040379
5-amino-N-(2,2-dimethylcyclopentyl)-2,3-dimethylbenzenesulfonamide
CID 79860965
1-N-(2,2-dimethyloxan-4-yl)-2-methylbenzene-1,4-diamine
CID 83028141
N-(2,2-dimethyloxan-4-yl)-4-(ethylamino)benzenesulfonamide
CID 83035482
5-amino-2,3-dimethyl-N-(5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 106181011

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,2-dimethyloxan-4-yl)-2,3-dimethylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(2,2-dimethyloxan-4-yl)-2,3-dimethylbenzenesulfonamide (CID 83034968) is 5-amino-N-(2,2-dimethyloxan-4-yl)-2,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(2,2-dimethyloxan-4-yl)-2,3-dimethylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(2,2-dimethyloxan-4-yl)-2,3-dimethylbenzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)NC2CCOC(C)(C)C2)c1C.
What is the InChIKey of 5-amino-N-(2,2-dimethyloxan-4-yl)-2,3-dimethylbenzenesulfonamide?
The InChIKey is FYLCJGSRJWFSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-10-7-12(16)8-14(11(10)2)21(18,19)17-13-5-6-20-15(3,4)9-13/h7-8,13,17H,5-6,9,16H2,1-4H3.
What are the key properties of 5-amino-N-(2,2-dimethyloxan-4-yl)-2,3-dimethylbenzenesulfonamide?
5-amino-N-(2,2-dimethyloxan-4-yl)-2,3-dimethylbenzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,2-dimethyloxan-4-yl)-2,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 83034968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).