[(2R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine

C14H22N2O4S2 — CID 124684733

IUPAC[(2R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine
SMILESCCS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2CN)cc1
InChIInChI=1S/C14H22N2O4S2/c1-2-21(17,18)13-6-8-14(9-7-13)22(19,20)16-10-4-3-5-12(16)11-15/h6-9,12H,2-5,10-11,15H2,1H3/t12-/m1/s1
InChIKeyNGIWNEBZABIIKB-GFCCVEGCSA-N
MW346.47 g/mol
LogP0.98
Rot. Bonds5

About [(2R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine

[(2R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine (PubChem CID 124684733) has the molecular formula C14H22N2O4S2 and a molecular weight of 346.47 g/mol. Its IUPAC name is [(2R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine
PubChem CID124684733
Molecular FormulaC14H22N2O4S2
Molecular Weight346.47 g/mol
Exact Mass346.10
IUPAC Name[(2R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine
SMILESCCS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2CN)cc1
InChIInChI=1S/C14H22N2O4S2/c1-2-21(17,18)13-6-8-14(9-7-13)22(19,20)16-10-4-3-5-12(16)11-15/h6-9,12H,2-5,10-11,15H2,1H3/t12-/m1/s1
InChIKeyNGIWNEBZABIIKB-GFCCVEGCSA-N
XLogP0.98
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988752
[1-[4-[(dimethylamino)methyl]phenyl]sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 120874759
[1-(4-tert-butylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 115312453
[1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]methanamine;hydrochloride
CID 119988891
4-[2-(aminomethyl)piperidin-1-yl]sulfonyl-N,N-dimethylbenzamide;hydrochloride
CID 120707986
1-[4-[2-(aminomethyl)piperidin-1-yl]sulfonylphenyl]pyrrolidin-2-one
CID 119969465
ethyl 4-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylbenzoate
CID 115312454
N-[5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-2-methylphenyl]acetamide
CID 119969352
4-[2-(aminomethyl)pyrrolidin-1-yl]sulfonylbenzonitrile
CID 113284421
[1-(4-fluoro-3,5-dimethylphenyl)sulfonylpiperidin-2-yl]methanamine
CID 119969291
[1-(3-methylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine;hydrochloride
CID 119969590
5-[2-(aminomethyl)piperidin-1-yl]sulfonyl-N,N,2-trimethylaniline;hydrochloride
CID 119969443

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine?
The IUPAC name of [(2R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine (CID 124684733) is [(2R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine.
What is the SMILES notation for [(2R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine?
The canonical SMILES for [(2R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine is CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2CN)cc1.
What is the InChIKey of [(2R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine?
The InChIKey is NGIWNEBZABIIKB-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N2O4S2/c1-2-21(17,18)13-6-8-14(9-7-13)22(19,20)16-10-4-3-5-12(16)11-15/h6-9,12H,2-5,10-11,15H2,1H3/t12-/m1/s1.
What are the key properties of [(2R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine?
[(2R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine has a molecular weight of 346.47 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-ethylsulfonylphenyl)sulfonylpiperidin-2-yl]methanamine is sourced from PubChem (CID 124684733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).