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

C14H22N2O3S — CID 124677567

IUPAC[(2R,3S)-1-(4-methoxyphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2CN)cc1
InChIInChI=1S/C14H22N2O3S/c1-11-4-3-9-16(14(11)10-15)20(17,18)13-7-5-12(19-2)6-8-13/h5-8,11,14H,3-4,9-10,15H2,1-2H3/t11-,14-/m0/s1
InChIKeyIQOXATNFVUCMPI-FZMZJTMJSA-N
MW298.41 g/mol
LogP1.44
Rot. Bonds4

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

[(2R,3S)-1-(4-methoxyphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine (PubChem CID 124677567) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is [(2R,3S)-1-(4-methoxyphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2R,3S)-1-(4-methoxyphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine
PubChem CID124677567
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name[(2R,3S)-1-(4-methoxyphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2CN)cc1
InChIInChI=1S/C14H22N2O3S/c1-11-4-3-9-16(14(11)10-15)20(17,18)13-7-5-12(19-2)6-8-13/h5-8,11,14H,3-4,9-10,15H2,1-2H3/t11-,14-/m0/s1
InChIKeyIQOXATNFVUCMPI-FZMZJTMJSA-N
XLogP1.44
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 ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R,3S)-1-(3,4-dimethoxyphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine
CID 124688215
2-[4-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonylphenyl]acetonitrile
CID 79203419
2-ethyl-1-(4-methoxyphenyl)sulfonylpyrrolidine
CID 110429014
[3-methyl-1-(3,4,5-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine
CID 119984944
3-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonylbenzenesulfonamide;hydrochloride
CID 119984868
[3-methyl-1-(4-methyl-3-nitrophenyl)sulfonylpiperidin-2-yl]methanamine
CID 119984901
methyl 2-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonylbenzoate;hydrochloride
CID 119984950
[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanamine
CID 55210776
(2-amino-2-oxoethyl) (2S)-1-(4-methoxyphenyl)sulfonylpyrrolidine-2-carboxylate
CID 11934998
2-(bromomethyl)-1-(4-methoxyphenyl)sulfonylpiperidine
CID 80676501
1-[5-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 119984768
[4-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]methanamine
CID 55040179

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-1-(4-methoxyphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine?
The IUPAC name of [(2R,3S)-1-(4-methoxyphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine (CID 124677567) is [(2R,3S)-1-(4-methoxyphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine.
What is the SMILES notation for [(2R,3S)-1-(4-methoxyphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine?
The canonical SMILES for [(2R,3S)-1-(4-methoxyphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine is COc1ccc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2CN)cc1.
What is the InChIKey of [(2R,3S)-1-(4-methoxyphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine?
The InChIKey is IQOXATNFVUCMPI-FZMZJTMJSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-11-4-3-9-16(14(11)10-15)20(17,18)13-7-5-12(19-2)6-8-13/h5-8,11,14H,3-4,9-10,15H2,1-2H3/t11-,14-/m0/s1.
What are the key properties of [(2R,3S)-1-(4-methoxyphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine?
[(2R,3S)-1-(4-methoxyphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine has a molecular weight of 298.41 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-1-(4-methoxyphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine is sourced from PubChem (CID 124677567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).