4-methyl-3-piperidin-1-ylsulfonylaniline

C12H18N2O2S — CID 2947433

IUPAC4-methyl-3-piperidin-1-ylsulfonylaniline
SMILESCc1ccc(N)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C12H18N2O2S/c1-10-5-6-11(13)9-12(10)17(15,16)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8,13H2,1H3
InChIKeyUUQUXIXDLSWYTC-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.75
Rot. Bonds2

About 4-methyl-3-piperidin-1-ylsulfonylaniline

4-methyl-3-piperidin-1-ylsulfonylaniline (PubChem CID 2947433) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 4-methyl-3-piperidin-1-ylsulfonylaniline.

Molecular Properties

Compound Name4-methyl-3-piperidin-1-ylsulfonylaniline
PubChem CID2947433
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name4-methyl-3-piperidin-1-ylsulfonylaniline
SMILESCc1ccc(N)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C12H18N2O2S/c1-10-5-6-11(13)9-12(10)17(15,16)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8,13H2,1H3
InChIKeyUUQUXIXDLSWYTC-UHFFFAOYSA-N
XLogP1.75
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-piperidin-1-ylsulfonylaniline?
The IUPAC name of 4-methyl-3-piperidin-1-ylsulfonylaniline (CID 2947433) is 4-methyl-3-piperidin-1-ylsulfonylaniline.
What is the SMILES notation for 4-methyl-3-piperidin-1-ylsulfonylaniline?
The canonical SMILES for 4-methyl-3-piperidin-1-ylsulfonylaniline is Cc1ccc(N)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 4-methyl-3-piperidin-1-ylsulfonylaniline?
The InChIKey is UUQUXIXDLSWYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-10-5-6-11(13)9-12(10)17(15,16)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8,13H2,1H3.
What are the key properties of 4-methyl-3-piperidin-1-ylsulfonylaniline?
4-methyl-3-piperidin-1-ylsulfonylaniline has a molecular weight of 254.35 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-piperidin-1-ylsulfonylaniline is sourced from PubChem (CID 2947433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).