5-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-methoxyaniline

C14H22N2O3S — CID 62937387

IUPAC5-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-methoxyaniline
SMILESCOc1ccc(S(=O)(=O)N2CCC(C)(C)CC2)cc1N
InChIInChI=1S/C14H22N2O3S/c1-14(2)6-8-16(9-7-14)20(17,18)11-4-5-13(19-3)12(15)10-11/h4-5,10H,6-9,15H2,1-3H3
InChIKeyOJKJPEDTFNTHJH-UHFFFAOYSA-N
MW298.41 g/mol
LogP2.09
Rot. Bonds3

About 5-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-methoxyaniline

5-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-methoxyaniline (PubChem CID 62937387) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 5-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-methoxyaniline.

Molecular Properties

Compound Name5-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-methoxyaniline
PubChem CID62937387
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name5-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-methoxyaniline
SMILESCOc1ccc(S(=O)(=O)N2CCC(C)(C)CC2)cc1N
InChIInChI=1S/C14H22N2O3S/c1-14(2)6-8-16(9-7-14)20(17,18)11-4-5-13(19-3)12(15)10-11/h4-5,10H,6-9,15H2,1-3H3
InChIKeyOJKJPEDTFNTHJH-UHFFFAOYSA-N
XLogP2.09
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-ethylpiperazin-1-yl)sulfonyl-2-methoxyaniline
CID 29040961
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-2-methoxyaniline
CID 115558795
4-(4,4-dimethylpiperidin-1-yl)sulfonylaniline
CID 62935826
[1-(3-amino-4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 112623894
2-(2-methoxyphenoxy)-5-piperidin-1-ylsulfonylaniline
CID 3543051
2-methoxy-5-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]sulfonyl]aniline
CID 114407928
3-chloro-5-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-methylaniline
CID 62937558
1-(5-bromo-2-methoxyphenyl)sulfonyl-4,4-dimethylpiperidine
CID 62922390
1-(3-amino-4-fluorosulfonyloxyphenyl)sulfonylpyrrolidine
CID 146049122
1-(4-amino-3-methoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 106667237
5-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-fluoro-3-methylaniline
CID 115421562
2-methoxy-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)aniline
CID 81438019

Frequently Asked Questions

What is the IUPAC name of 5-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-methoxyaniline?
The IUPAC name of 5-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-methoxyaniline (CID 62937387) is 5-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-methoxyaniline.
What is the SMILES notation for 5-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-methoxyaniline?
The canonical SMILES for 5-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-methoxyaniline is COc1ccc(S(=O)(=O)N2CCC(C)(C)CC2)cc1N.
What is the InChIKey of 5-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-methoxyaniline?
The InChIKey is OJKJPEDTFNTHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-14(2)6-8-16(9-7-14)20(17,18)11-4-5-13(19-3)12(15)10-11/h4-5,10H,6-9,15H2,1-3H3.
What are the key properties of 5-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-methoxyaniline?
5-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-methoxyaniline has a molecular weight of 298.41 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-methoxyaniline is sourced from PubChem (CID 62937387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).