1-(2-aminophenyl)-N-(2,2-dimethyloxan-4-yl)methanesulfonamide

C14H22N2O3S — CID 83027734

IUPAC1-(2-aminophenyl)-N-(2,2-dimethyloxan-4-yl)methanesulfonamide
SMILESCC1(C)CC(NS(=O)(=O)Cc2ccccc2N)CCO1
InChIInChI=1S/C14H22N2O3S/c1-14(2)9-12(7-8-19-14)16-20(17,18)10-11-5-3-4-6-13(11)15/h3-6,12,16H,7-10,15H2,1-2H3
InChIKeySQJXBBTTZXBEHU-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.65
Rot. Bonds4

About 1-(2-aminophenyl)-N-(2,2-dimethyloxan-4-yl)methanesulfonamide

1-(2-aminophenyl)-N-(2,2-dimethyloxan-4-yl)methanesulfonamide (PubChem CID 83027734) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-(2-aminophenyl)-N-(2,2-dimethyloxan-4-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(2-aminophenyl)-N-(2,2-dimethyloxan-4-yl)methanesulfonamide
PubChem CID83027734
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name1-(2-aminophenyl)-N-(2,2-dimethyloxan-4-yl)methanesulfonamide
SMILESCC1(C)CC(NS(=O)(=O)Cc2ccccc2N)CCO1
InChIInChI=1S/C14H22N2O3S/c1-14(2)9-12(7-8-19-14)16-20(17,18)10-11-5-3-4-6-13(11)15/h3-6,12,16H,7-10,15H2,1-2H3
InChIKeySQJXBBTTZXBEHU-UHFFFAOYSA-N
XLogP1.65
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminophenyl)-N-(2,2-dimethyloxan-4-yl)methanesulfonamide?
The IUPAC name of 1-(2-aminophenyl)-N-(2,2-dimethyloxan-4-yl)methanesulfonamide (CID 83027734) is 1-(2-aminophenyl)-N-(2,2-dimethyloxan-4-yl)methanesulfonamide.
What is the SMILES notation for 1-(2-aminophenyl)-N-(2,2-dimethyloxan-4-yl)methanesulfonamide?
The canonical SMILES for 1-(2-aminophenyl)-N-(2,2-dimethyloxan-4-yl)methanesulfonamide is CC1(C)CC(NS(=O)(=O)Cc2ccccc2N)CCO1.
What is the InChIKey of 1-(2-aminophenyl)-N-(2,2-dimethyloxan-4-yl)methanesulfonamide?
The InChIKey is SQJXBBTTZXBEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-14(2)9-12(7-8-19-14)16-20(17,18)10-11-5-3-4-6-13(11)15/h3-6,12,16H,7-10,15H2,1-2H3.
What are the key properties of 1-(2-aminophenyl)-N-(2,2-dimethyloxan-4-yl)methanesulfonamide?
1-(2-aminophenyl)-N-(2,2-dimethyloxan-4-yl)methanesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminophenyl)-N-(2,2-dimethyloxan-4-yl)methanesulfonamide is sourced from PubChem (CID 83027734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).