4-(1-methylsulfonylpiperidin-4-yl)oxyaniline

C12H18N2O3S — CID 90410534

IUPAC4-(1-methylsulfonylpiperidin-4-yl)oxyaniline
SMILESCS(=O)(=O)N1CCC(Oc2ccc(N)cc2)CC1
InChIInChI=1S/C12H18N2O3S/c1-18(15,16)14-8-6-12(7-9-14)17-11-4-2-10(13)3-5-11/h2-5,12H,6-9,13H2,1H3
InChIKeyYIZBAEJQCYIVMM-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.07
Rot. Bonds3

About 4-(1-methylsulfonylpiperidin-4-yl)oxyaniline

4-(1-methylsulfonylpiperidin-4-yl)oxyaniline (PubChem CID 90410534) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 4-(1-methylsulfonylpiperidin-4-yl)oxyaniline.

Molecular Properties

Compound Name4-(1-methylsulfonylpiperidin-4-yl)oxyaniline
PubChem CID90410534
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name4-(1-methylsulfonylpiperidin-4-yl)oxyaniline
SMILESCS(=O)(=O)N1CCC(Oc2ccc(N)cc2)CC1
InChIInChI=1S/C12H18N2O3S/c1-18(15,16)14-8-6-12(7-9-14)17-11-4-2-10(13)3-5-11/h2-5,12H,6-9,13H2,1H3
InChIKeyYIZBAEJQCYIVMM-UHFFFAOYSA-N
XLogP1.07
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(1-methylsulfonylpiperidin-4-yl)oxyaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-methylsulfonylpiperidin-4-yl)oxyaniline
CID 145496921
1-ethylsulfonyl-4-(4-fluorophenoxy)piperidine
CID 110396981
2-methyl-1-N-(1-methylsulfonylpiperidin-4-yl)benzene-1,4-diamine
CID 43628754
1-[4-(4-aminophenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 144986405
1-[(4-cyclopentyloxyphenyl)methyl]-4-methylsulfonyl-1,4-diazepane
CID 91773142
4-(4-methylsulfonylphenoxy)piperidine-1-carboxamide
CID 71166636
N-[3-(1-methylsulfonylpiperidin-4-yl)oxyphenyl]pyrimidin-2-amine
CID 69228289
2-(1-methylsulfonylpiperidin-4-yl)oxyquinazolin-4-amine
CID 160565396
4-(4-cyclopropyloxyphenyl)aniline
CID 114519885
4-amino-N-(1-methylsulfonylpiperidin-4-yl)benzamide;hydrochloride
CID 119699919
4-[4-(4-methylsulfonylphenoxy)cyclohexyl]oxy-1-propan-2-ylsulfonylpiperidine
CID 67448980
N-[(1R)-1-(4-fluorophenyl)ethyl]-N-(2-methylpropyl)-4-(1-methylsulfonylpiperidin-4-yl)oxybenzenesulfonamide
CID 118534613

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylsulfonylpiperidin-4-yl)oxyaniline?
The IUPAC name of 4-(1-methylsulfonylpiperidin-4-yl)oxyaniline (CID 90410534) is 4-(1-methylsulfonylpiperidin-4-yl)oxyaniline.
What is the SMILES notation for 4-(1-methylsulfonylpiperidin-4-yl)oxyaniline?
The canonical SMILES for 4-(1-methylsulfonylpiperidin-4-yl)oxyaniline is CS(=O)(=O)N1CCC(Oc2ccc(N)cc2)CC1.
What is the InChIKey of 4-(1-methylsulfonylpiperidin-4-yl)oxyaniline?
The InChIKey is YIZBAEJQCYIVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-18(15,16)14-8-6-12(7-9-14)17-11-4-2-10(13)3-5-11/h2-5,12H,6-9,13H2,1H3.
What are the key properties of 4-(1-methylsulfonylpiperidin-4-yl)oxyaniline?
4-(1-methylsulfonylpiperidin-4-yl)oxyaniline has a molecular weight of 270.35 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylsulfonylpiperidin-4-yl)oxyaniline is sourced from PubChem (CID 90410534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).