1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-amine

C13H20N2O3S — CID 28804121

IUPAC1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-amine
SMILESCOc1ccc(S(=O)(=O)N2CCC(N)CC2)cc1C
InChIInChI=1S/C13H20N2O3S/c1-10-9-12(3-4-13(10)18-2)19(16,17)15-7-5-11(14)6-8-15/h3-4,9,11H,5-8,14H2,1-2H3
InChIKeyFLBPWKCPORJLKV-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.12
Rot. Bonds3

About 1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-amine

1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-amine (PubChem CID 28804121) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-amine.

Molecular Properties

Compound Name1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-amine
PubChem CID28804121
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-amine
SMILESCOc1ccc(S(=O)(=O)N2CCC(N)CC2)cc1C
InChIInChI=1S/C13H20N2O3S/c1-10-9-12(3-4-13(10)18-2)19(16,17)15-7-5-11(14)6-8-15/h3-4,9,11H,5-8,14H2,1-2H3
InChIKeyFLBPWKCPORJLKV-UHFFFAOYSA-N
XLogP1.12
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(4-methoxy-3-methylphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119962752
(3S)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-amine
CID 93217040
1-(3-bromo-4-methoxyphenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 119959359
1-(4-methoxy-3-methylphenyl)sulfonylpiperidine-4-carboxylic acid
CID 972845
4-(4-methoxy-3-methylphenyl)sulfonylmorpholine
CID 847008
1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-4-amine
CID 119959097
1-tert-butyl-4-(4-methoxy-3-methylphenyl)sulfonylpiperazine
CID 113074863
1-ethyl-4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-ium
CID 6957248
(3S)-1-(3-bromo-4-methoxyphenyl)sulfonylpyrrolidin-3-amine
CID 113282428
(3S)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993531
4-(4-methoxy-3-methylphenyl)sulfonyl-1-methylpiperazin-2-one
CID 110708141
4-[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyran-2-one
CID 90629242

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-amine?
The IUPAC name of 1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-amine (CID 28804121) is 1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-amine.
What is the SMILES notation for 1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-amine?
The canonical SMILES for 1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-amine is COc1ccc(S(=O)(=O)N2CCC(N)CC2)cc1C.
What is the InChIKey of 1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-amine?
The InChIKey is FLBPWKCPORJLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10-9-12(3-4-13(10)18-2)19(16,17)15-7-5-11(14)6-8-15/h3-4,9,11H,5-8,14H2,1-2H3.
What are the key properties of 1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-amine?
1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-amine has a molecular weight of 284.38 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-amine is sourced from PubChem (CID 28804121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).