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

C13H20N2O3S — CID 93217040

IUPAC(3S)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-amine
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@H](N)C2)cc1C
InChIInChI=1S/C13H20N2O3S/c1-10-8-12(5-6-13(10)18-2)19(16,17)15-7-3-4-11(14)9-15/h5-6,8,11H,3-4,7,9,14H2,1-2H3/t11-/m0/s1
InChIKeyJDMIWOSJVTZZRN-NSHDSACASA-N
MW284.38 g/mol
LogP1.12
Rot. Bonds3

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

(3S)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-amine (PubChem CID 93217040) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is (3S)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-amine
PubChem CID93217040
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name(3S)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-amine
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@H](N)C2)cc1C
InChIInChI=1S/C13H20N2O3S/c1-10-8-12(5-6-13(10)18-2)19(16,17)15-7-3-4-11(14)9-15/h5-6,8,11H,3-4,7,9,14H2,1-2H3/t11-/m0/s1
InChIKeyJDMIWOSJVTZZRN-NSHDSACASA-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
(3R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-3-amine
CID 93217043
1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-amine
CID 28804121
1-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperidin-3-amine
CID 119959644
1-(4-methoxy-3-methylphenyl)sulfonyl-3-(phenoxymethyl)piperidine
CID 110410419
1-(2-methoxy-5-methylsulfonylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 120998796
1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-3-amine;hydrochloride
CID 119959600
(3S)-1-(3-bromo-4-methoxyphenyl)sulfonylpyrrolidin-3-amine
CID 113282428
1-(4-methoxy-3-methylphenyl)sulfonyl-3-phenylazepane
CID 90608635
methyl 5-(3-aminopiperidin-1-yl)sulfonyl-2-methylbenzoate;hydrochloride
CID 119959935
[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-yl]-(4-methylphenyl)methanone
CID 110394645
(3S)-1-(3-fluoro-4-methoxyphenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993531

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-amine?
The IUPAC name of (3S)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-amine (CID 93217040) is (3S)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-amine.
What is the SMILES notation for (3S)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-amine?
The canonical SMILES for (3S)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-amine is COc1ccc(S(=O)(=O)N2CCC[C@H](N)C2)cc1C.
What is the InChIKey of (3S)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-amine?
The InChIKey is JDMIWOSJVTZZRN-NSHDSACASA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10-8-12(5-6-13(10)18-2)19(16,17)15-7-3-4-11(14)9-15/h5-6,8,11H,3-4,7,9,14H2,1-2H3/t11-/m0/s1.
What are the key properties of (3S)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-amine?
(3S)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-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 (3S)-1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-3-amine is sourced from PubChem (CID 93217040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).