[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanamine

C13H20N2O3S — CID 55210776

IUPAC[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanamine
SMILESCOc1ccc(S(=O)(=O)N2CCCC(CN)C2)cc1
InChIInChI=1S/C13H20N2O3S/c1-18-12-4-6-13(7-5-12)19(16,17)15-8-2-3-11(9-14)10-15/h4-7,11H,2-3,8-10,14H2,1H3
InChIKeyHPWVZKWSTUSLTI-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.05
Rot. Bonds4

About [1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanamine

[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanamine (PubChem CID 55210776) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanamine
PubChem CID55210776
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanamine
SMILESCOc1ccc(S(=O)(=O)N2CCCC(CN)C2)cc1
InChIInChI=1S/C13H20N2O3S/c1-18-12-4-6-13(7-5-12)19(16,17)15-8-2-3-11(9-14)10-15/h4-7,11H,2-3,8-10,14H2,1H3
InChIKeyHPWVZKWSTUSLTI-UHFFFAOYSA-N
XLogP1.05
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methoxymethyl)-1-(4-methoxyphenyl)sulfonylpiperidine
CID 121092316
(3S)-1-(4-methoxyphenyl)sulfonyl-3-(1H-pyrazol-5-ylmethyl)piperidine
CID 125006262
2-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-N-phenylacetohydrazide
CID 90813340
[1-(4-propoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971933
ethyl (3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 2205762
3-(aminomethyl)-N-(2-bromo-5-methoxyphenyl)piperidine-1-sulfonamide
CID 106067174
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 78913202
[1-(4-ethylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 55030896
[1-[4-(2-ethoxyethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972213
(3R)-N-(2-amino-2-oxoethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 9297102
ethyl N-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbamate
CID 94638463
(3S)-1-(4-methoxyphenyl)sulfonyl-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 40917737

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanamine?
The IUPAC name of [1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanamine (CID 55210776) is [1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanamine.
What is the SMILES notation for [1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanamine?
The canonical SMILES for [1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanamine is COc1ccc(S(=O)(=O)N2CCCC(CN)C2)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanamine?
The InChIKey is HPWVZKWSTUSLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-18-12-4-6-13(7-5-12)19(16,17)15-8-2-3-11(9-14)10-15/h4-7,11H,2-3,8-10,14H2,1H3.
What are the key properties of [1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanamine?
[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanamine has a molecular weight of 284.38 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanamine is sourced from PubChem (CID 55210776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).