2-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)sulfonylaniline

C15H23NO3S — CID 114624449

IUPAC2-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)sulfonylaniline
SMILESCc1cc(S(=O)(=O)C2CC(C)(C)OC2(C)C)ccc1N
InChIInChI=1S/C15H23NO3S/c1-10-8-11(6-7-12(10)16)20(17,18)13-9-14(2,3)19-15(13,4)5/h6-8,13H,9,16H2,1-5H3
InChIKeyUACRIUAKGNRLPV-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.70
Rot. Bonds2

About 2-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)sulfonylaniline

2-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)sulfonylaniline (PubChem CID 114624449) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)sulfonylaniline.

Molecular Properties

Compound Name2-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)sulfonylaniline
PubChem CID114624449
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name2-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)sulfonylaniline
SMILESCc1cc(S(=O)(=O)C2CC(C)(C)OC2(C)C)ccc1N
InChIInChI=1S/C15H23NO3S/c1-10-8-11(6-7-12(10)16)20(17,18)13-9-14(2,3)19-15(13,4)5/h6-8,13H,9,16H2,1-5H3
InChIKeyUACRIUAKGNRLPV-UHFFFAOYSA-N
XLogP2.70
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
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 2-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)sulfonylaniline?
The IUPAC name of 2-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)sulfonylaniline (CID 114624449) is 2-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)sulfonylaniline.
What is the SMILES notation for 2-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)sulfonylaniline?
The canonical SMILES for 2-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)sulfonylaniline is Cc1cc(S(=O)(=O)C2CC(C)(C)OC2(C)C)ccc1N.
What is the InChIKey of 2-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)sulfonylaniline?
The InChIKey is UACRIUAKGNRLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-10-8-11(6-7-12(10)16)20(17,18)13-9-14(2,3)19-15(13,4)5/h6-8,13H,9,16H2,1-5H3.
What are the key properties of 2-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)sulfonylaniline?
2-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)sulfonylaniline has a molecular weight of 297.42 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2,2,5,5-tetramethyloxolan-3-yl)sulfonylaniline is sourced from PubChem (CID 114624449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).