2-(1-methylsulfonylpropan-2-yl)aniline

C10H15NO2S — CID 115028443

IUPAC2-(1-methylsulfonylpropan-2-yl)aniline
SMILESCC(CS(C)(=O)=O)c1ccccc1N
InChIInChI=1S/C10H15NO2S/c1-8(7-14(2,12)13)9-5-3-4-6-10(9)11/h3-6,8H,7,11H2,1-2H3
InChIKeyFTPKYQYKVBNFNL-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.42
Rot. Bonds3

About 2-(1-methylsulfonylpropan-2-yl)aniline

2-(1-methylsulfonylpropan-2-yl)aniline (PubChem CID 115028443) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 2-(1-methylsulfonylpropan-2-yl)aniline.

Molecular Properties

Compound Name2-(1-methylsulfonylpropan-2-yl)aniline
PubChem CID115028443
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name2-(1-methylsulfonylpropan-2-yl)aniline
SMILESCC(CS(C)(=O)=O)c1ccccc1N
InChIInChI=1S/C10H15NO2S/c1-8(7-14(2,12)13)9-5-3-4-6-10(9)11/h3-6,8H,7,11H2,1-2H3
InChIKeyFTPKYQYKVBNFNL-UHFFFAOYSA-N
XLogP1.42
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methoxy-2-methylsulfonylethyl)aniline
CID 14265895
2-(1-aminopropan-2-yl)aniline;dihydrochloride
CID 131857142
2-(1-aminoethyl)aniline;sulfuric acid
CID 67830169
acetic acid;(3R)-3-(2-aminophenyl)butanoic acid
CID 67106940
4-(2-aminophenyl)-N-methylpentanamide
CID 143020696
4-(2-aminophenyl)-2-methylpentan-2-ol
CID 155775432
2-(2-bromophenyl)propane-1-sulfonamide
CID 90319364
(1S,2S)-1-(2-aminophenyl)propane-1,2-diol
CID 54485712
2-hex-5-en-2-ylaniline
CID 101407888
(1S)-1-(2-chlorophenyl)-2-methylsulfonylethanamine
CID 94451404
(1S)-1-(2-aminophenyl)ethanol
CID 12749796
N-[1-(2-aminophenyl)ethyl]propanamide
CID 43297760

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfonylpropan-2-yl)aniline?
The IUPAC name of 2-(1-methylsulfonylpropan-2-yl)aniline (CID 115028443) is 2-(1-methylsulfonylpropan-2-yl)aniline.
What is the SMILES notation for 2-(1-methylsulfonylpropan-2-yl)aniline?
The canonical SMILES for 2-(1-methylsulfonylpropan-2-yl)aniline is CC(CS(C)(=O)=O)c1ccccc1N.
What is the InChIKey of 2-(1-methylsulfonylpropan-2-yl)aniline?
The InChIKey is FTPKYQYKVBNFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-8(7-14(2,12)13)9-5-3-4-6-10(9)11/h3-6,8H,7,11H2,1-2H3.
What are the key properties of 2-(1-methylsulfonylpropan-2-yl)aniline?
2-(1-methylsulfonylpropan-2-yl)aniline has a molecular weight of 213.30 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfonylpropan-2-yl)aniline is sourced from PubChem (CID 115028443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).