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

C15H24N2O4S — CID 124688215

IUPAC[(2R,3S)-1-(3,4-dimethoxyphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2CN)cc1OC
InChIInChI=1S/C15H24N2O4S/c1-11-5-4-8-17(13(11)10-16)22(18,19)12-6-7-14(20-2)15(9-12)21-3/h6-7,9,11,13H,4-5,8,10,16H2,1-3H3/t11-,13-/m0/s1
InChIKeyWHVUEPRZUNKRLJ-AAEUAGOBSA-N
MW328.43 g/mol
LogP1.45
Rot. Bonds5

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

[(2R,3S)-1-(3,4-dimethoxyphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine (PubChem CID 124688215) has the molecular formula C15H24N2O4S and a molecular weight of 328.43 g/mol. Its IUPAC name is [(2R,3S)-1-(3,4-dimethoxyphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2R,3S)-1-(3,4-dimethoxyphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine
PubChem CID124688215
Molecular FormulaC15H24N2O4S
Molecular Weight328.43 g/mol
Exact Mass328.15
IUPAC Name[(2R,3S)-1-(3,4-dimethoxyphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2CN)cc1OC
InChIInChI=1S/C15H24N2O4S/c1-11-5-4-8-17(13(11)10-16)22(18,19)12-6-7-14(20-2)15(9-12)21-3/h6-7,9,11,13H,4-5,8,10,16H2,1-3H3/t11-,13-/m0/s1
InChIKeyWHVUEPRZUNKRLJ-AAEUAGOBSA-N
XLogP1.45
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R,3S)-1-(4-methoxyphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine
CID 124677567
3-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonylbenzenesulfonamide;hydrochloride
CID 119984868
[3-methyl-1-(4-methyl-3-nitrophenyl)sulfonylpiperidin-2-yl]methanamine
CID 119984901
(4aS,8aS)-1-(3,4-dimethoxyphenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 11926545
[3-methyl-1-(3,4,5-trifluorophenyl)sulfonylpiperidin-2-yl]methanamine
CID 119984944
4-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119984843
2-[4-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonylphenyl]acetonitrile
CID 79203419
(2R)-1-(3,4-dimethoxyphenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine
CID 51856148
1-[5-[2-(aminomethyl)-3-methylpiperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 119984768
1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpyrrolidine-2-carboxamide
CID 18846703
(2R,5S)-1,4-bis[(3,4-dimethoxyphenyl)sulfonyl]-2,5-dimethylpiperazine
CID 23654829
4-[1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 47001516

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-1-(3,4-dimethoxyphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine?
The IUPAC name of [(2R,3S)-1-(3,4-dimethoxyphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine (CID 124688215) is [(2R,3S)-1-(3,4-dimethoxyphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine.
What is the SMILES notation for [(2R,3S)-1-(3,4-dimethoxyphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine?
The canonical SMILES for [(2R,3S)-1-(3,4-dimethoxyphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine is COc1ccc(S(=O)(=O)N2CCC[C@H](C)[C@@H]2CN)cc1OC.
What is the InChIKey of [(2R,3S)-1-(3,4-dimethoxyphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine?
The InChIKey is WHVUEPRZUNKRLJ-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H24N2O4S/c1-11-5-4-8-17(13(11)10-16)22(18,19)12-6-7-14(20-2)15(9-12)21-3/h6-7,9,11,13H,4-5,8,10,16H2,1-3H3/t11-,13-/m0/s1.
What are the key properties of [(2R,3S)-1-(3,4-dimethoxyphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine?
[(2R,3S)-1-(3,4-dimethoxyphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine has a molecular weight of 328.43 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-1-(3,4-dimethoxyphenyl)sulfonyl-3-methylpiperidin-2-yl]methanamine is sourced from PubChem (CID 124688215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).