[3-[1-(3-methylsulfonylphenyl)piperidin-3-yl]sulfonylphenyl]methanamine

C19H24N2O4S2 — CID 166793956

IUPAC[3-[1-(3-methylsulfonylphenyl)piperidin-3-yl]sulfonylphenyl]methanamine
SMILESCS(=O)(=O)c1cccc(N2CCCC(S(=O)(=O)c3cccc(CN)c3)C2)c1
InChIInChI=1S/C19H24N2O4S2/c1-26(22,23)17-7-3-6-16(12-17)21-10-4-9-19(14-21)27(24,25)18-8-2-5-15(11-18)13-20/h2-3,5-8,11-12,19H,4,9-10,13-14,20H2,1H3
InChIKeyMNZYINZCGHMDCP-UHFFFAOYSA-N
MW408.55 g/mol
LogP1.99
Rot. Bonds5

About [3-[1-(3-methylsulfonylphenyl)piperidin-3-yl]sulfonylphenyl]methanamine

[3-[1-(3-methylsulfonylphenyl)piperidin-3-yl]sulfonylphenyl]methanamine (PubChem CID 166793956) has the molecular formula C19H24N2O4S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is [3-[1-(3-methylsulfonylphenyl)piperidin-3-yl]sulfonylphenyl]methanamine.

Molecular Properties

Compound Name[3-[1-(3-methylsulfonylphenyl)piperidin-3-yl]sulfonylphenyl]methanamine
PubChem CID166793956
Molecular FormulaC19H24N2O4S2
Molecular Weight408.55 g/mol
Exact Mass408.12
IUPAC Name[3-[1-(3-methylsulfonylphenyl)piperidin-3-yl]sulfonylphenyl]methanamine
SMILESCS(=O)(=O)c1cccc(N2CCCC(S(=O)(=O)c3cccc(CN)c3)C2)c1
InChIInChI=1S/C19H24N2O4S2/c1-26(22,23)17-7-3-6-16(12-17)21-10-4-9-19(14-21)27(24,25)18-8-2-5-15(11-18)13-20/h2-3,5-8,11-12,19H,4,9-10,13-14,20H2,1H3
InChIKeyMNZYINZCGHMDCP-UHFFFAOYSA-N
XLogP1.99
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[(3R,5R)-5-methylsulfonyl-1-phenylpiperidin-3-yl]sulfonylphenyl]methanamine
CID 166808761
[3-(3-fluoropiperidin-1-yl)phenyl]methanamine
CID 115025964
1-(3-methylsulfonylphenyl)-3-propylpyrrolidine
CID 10445709
(3S)-3-(3-methylsulfonylphenyl)-1-phenylpiperidine
CID 151743703
acetic acid;(3-methylsulfonylphenyl)methanamine
CID 86081139
[3-(4-propan-2-ylazepan-1-yl)phenyl]methanamine
CID 102814059
[3-(4-tert-butylazepan-1-yl)phenyl]methanamine
CID 102814062
[3-(4-propylazepan-1-yl)phenyl]methanamine
CID 102814056
5-[3-(aminomethyl)phenyl]sulfonyl-1-cyclohexyl-N,N-dimethylpiperidine-3-carboxamide
CID 168861387
4-(3-methylsulfonylphenyl)piperazine-1-sulfonyl chloride
CID 75409784
3-(aminomethyl)-N-cyclopentyl-N-ethylbenzenesulfonamide
CID 43541173
4-[(3-methylsulfonylphenyl)methyl]piperidine
CID 84804489

Frequently Asked Questions

What is the IUPAC name of [3-[1-(3-methylsulfonylphenyl)piperidin-3-yl]sulfonylphenyl]methanamine?
The IUPAC name of [3-[1-(3-methylsulfonylphenyl)piperidin-3-yl]sulfonylphenyl]methanamine (CID 166793956) is [3-[1-(3-methylsulfonylphenyl)piperidin-3-yl]sulfonylphenyl]methanamine.
What is the SMILES notation for [3-[1-(3-methylsulfonylphenyl)piperidin-3-yl]sulfonylphenyl]methanamine?
The canonical SMILES for [3-[1-(3-methylsulfonylphenyl)piperidin-3-yl]sulfonylphenyl]methanamine is CS(=O)(=O)c1cccc(N2CCCC(S(=O)(=O)c3cccc(CN)c3)C2)c1.
What is the InChIKey of [3-[1-(3-methylsulfonylphenyl)piperidin-3-yl]sulfonylphenyl]methanamine?
The InChIKey is MNZYINZCGHMDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S2/c1-26(22,23)17-7-3-6-16(12-17)21-10-4-9-19(14-21)27(24,25)18-8-2-5-15(11-18)13-20/h2-3,5-8,11-12,19H,4,9-10,13-14,20H2,1H3.
What are the key properties of [3-[1-(3-methylsulfonylphenyl)piperidin-3-yl]sulfonylphenyl]methanamine?
[3-[1-(3-methylsulfonylphenyl)piperidin-3-yl]sulfonylphenyl]methanamine has a molecular weight of 408.55 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(3-methylsulfonylphenyl)piperidin-3-yl]sulfonylphenyl]methanamine is sourced from PubChem (CID 166793956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).