[1-(2-methoxyphenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine

C14H22N2O3S — CID 114960870

IUPAC[1-(2-methoxyphenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine
SMILESCOc1ccccc1S(=O)(=O)N1CCC(C)C(CN)C1
InChIInChI=1S/C14H22N2O3S/c1-11-7-8-16(10-12(11)9-15)20(17,18)14-6-4-3-5-13(14)19-2/h3-6,11-12H,7-10,15H2,1-2H3
InChIKeyAHNRKJPHKNKCRI-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.30
Rot. Bonds4

About [1-(2-methoxyphenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine

[1-(2-methoxyphenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine (PubChem CID 114960870) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is [1-(2-methoxyphenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2-methoxyphenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine
PubChem CID114960870
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name[1-(2-methoxyphenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine
SMILESCOc1ccccc1S(=O)(=O)N1CCC(C)C(CN)C1
InChIInChI=1S/C14H22N2O3S/c1-11-7-8-16(10-12(11)9-15)20(17,18)14-6-4-3-5-13(14)19-2/h3-6,11-12H,7-10,15H2,1-2H3
InChIKeyAHNRKJPHKNKCRI-UHFFFAOYSA-N
XLogP1.30
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972182
3-ethyl-1-(2-methoxyphenyl)sulfonylpiperidin-4-amine
CID 81458430
[1-(2-fluorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine
CID 114960772
(4-methyl-1-thiophen-2-ylsulfonylpiperidin-3-yl)methanamine
CID 114960944
[1-(4-fluorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine
CID 114960912
[1-(8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-ylsulfonyl)-4-methylpiperidin-3-yl]methanamine
CID 114960814
[4-methyl-1-(2,3,4-trifluorophenyl)sulfonylpiperidin-3-yl]methanamine
CID 114960919
[1-(2,5-dichlorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine
CID 114960842
3-[1-(2-methoxyphenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160074
1-(2-methoxyphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine
CID 120779698
1-[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol
CID 91813618
N-[[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119990650

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyphenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine?
The IUPAC name of [1-(2-methoxyphenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine (CID 114960870) is [1-(2-methoxyphenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine.
What is the SMILES notation for [1-(2-methoxyphenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine?
The canonical SMILES for [1-(2-methoxyphenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine is COc1ccccc1S(=O)(=O)N1CCC(C)C(CN)C1.
What is the InChIKey of [1-(2-methoxyphenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine?
The InChIKey is AHNRKJPHKNKCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11-7-8-16(10-12(11)9-15)20(17,18)14-6-4-3-5-13(14)19-2/h3-6,11-12H,7-10,15H2,1-2H3.
What are the key properties of [1-(2-methoxyphenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine?
[1-(2-methoxyphenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine has a molecular weight of 298.41 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyphenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine is sourced from PubChem (CID 114960870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).