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

C14H22N2O4S2 — CID 119963784

IUPAC[1-(3-ethylsulfonylphenyl)sulfonylpiperidin-4-yl]methanamine
SMILESCCS(=O)(=O)c1cccc(S(=O)(=O)N2CCC(CN)CC2)c1
InChIInChI=1S/C14H22N2O4S2/c1-2-21(17,18)13-4-3-5-14(10-13)22(19,20)16-8-6-12(11-15)7-9-16/h3-5,10,12H,2,6-9,11,15H2,1H3
InChIKeyLDCDVDJLDTZHOI-UHFFFAOYSA-N
MW346.47 g/mol
LogP0.84
Rot. Bonds5

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

[1-(3-ethylsulfonylphenyl)sulfonylpiperidin-4-yl]methanamine (PubChem CID 119963784) has the molecular formula C14H22N2O4S2 and a molecular weight of 346.47 g/mol. Its IUPAC name is [1-(3-ethylsulfonylphenyl)sulfonylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(3-ethylsulfonylphenyl)sulfonylpiperidin-4-yl]methanamine
PubChem CID119963784
Molecular FormulaC14H22N2O4S2
Molecular Weight346.47 g/mol
Exact Mass346.10
IUPAC Name[1-(3-ethylsulfonylphenyl)sulfonylpiperidin-4-yl]methanamine
SMILESCCS(=O)(=O)c1cccc(S(=O)(=O)N2CCC(CN)CC2)c1
InChIInChI=1S/C14H22N2O4S2/c1-2-21(17,18)13-4-3-5-14(10-13)22(19,20)16-8-6-12(11-15)7-9-16/h3-5,10,12H,2,6-9,11,15H2,1H3
InChIKeyLDCDVDJLDTZHOI-UHFFFAOYSA-N
XLogP0.84
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 ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(3-bromophenyl)sulfonylpiperidin-4-yl]methanamine
CID 43605305
methyl 3-[4-(aminomethyl)piperidin-1-yl]sulfonylbenzoate;hydrochloride
CID 119963710
3-(4-aminopiperidin-1-yl)sulfonyl-N,N-diethylbenzenesulfonamide;hydrochloride
CID 120998716
3-(4-aminopiperidin-1-yl)sulfonylbenzenesulfonamide
CID 43556327
[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971921
1-[1-(3-ethylsulfonylphenyl)sulfonylpiperidin-3-yl]-N-methylmethanamine;hydrochloride
CID 119961100
[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanamine
CID 28706848
[1-(4-bromophenyl)sulfonylpiperidin-4-yl]methanamine
CID 43605295
4-[4-(aminomethyl)piperidin-1-yl]sulfonyl-2-methylbenzonitrile
CID 106920510
4-methyl-1-(3-methylsulfonylphenyl)sulfonylpiperidine
CID 47154568
[1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 119988934
[1-(4-butan-2-ylphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119963645

Frequently Asked Questions

What is the IUPAC name of [1-(3-ethylsulfonylphenyl)sulfonylpiperidin-4-yl]methanamine?
The IUPAC name of [1-(3-ethylsulfonylphenyl)sulfonylpiperidin-4-yl]methanamine (CID 119963784) is [1-(3-ethylsulfonylphenyl)sulfonylpiperidin-4-yl]methanamine.
What is the SMILES notation for [1-(3-ethylsulfonylphenyl)sulfonylpiperidin-4-yl]methanamine?
The canonical SMILES for [1-(3-ethylsulfonylphenyl)sulfonylpiperidin-4-yl]methanamine is CCS(=O)(=O)c1cccc(S(=O)(=O)N2CCC(CN)CC2)c1.
What is the InChIKey of [1-(3-ethylsulfonylphenyl)sulfonylpiperidin-4-yl]methanamine?
The InChIKey is LDCDVDJLDTZHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S2/c1-2-21(17,18)13-4-3-5-14(10-13)22(19,20)16-8-6-12(11-15)7-9-16/h3-5,10,12H,2,6-9,11,15H2,1H3.
What are the key properties of [1-(3-ethylsulfonylphenyl)sulfonylpiperidin-4-yl]methanamine?
[1-(3-ethylsulfonylphenyl)sulfonylpiperidin-4-yl]methanamine has a molecular weight of 346.47 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-ethylsulfonylphenyl)sulfonylpiperidin-4-yl]methanamine is sourced from PubChem (CID 119963784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).