1-(3,4-dimethylphenyl)sulfonyl-N-ethylpiperidin-4-amine

C15H24N2O2S — CID 60819969

IUPAC1-(3,4-dimethylphenyl)sulfonyl-N-ethylpiperidin-4-amine
SMILESCCNC1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C15H24N2O2S/c1-4-16-14-7-9-17(10-8-14)20(18,19)15-6-5-12(2)13(3)11-15/h5-6,11,14,16H,4,7-10H2,1-3H3
InChIKeyFVBKQOQPLQXZND-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.07
Rot. Bonds4

About 1-(3,4-dimethylphenyl)sulfonyl-N-ethylpiperidin-4-amine

1-(3,4-dimethylphenyl)sulfonyl-N-ethylpiperidin-4-amine (PubChem CID 60819969) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)sulfonyl-N-ethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)sulfonyl-N-ethylpiperidin-4-amine
PubChem CID60819969
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-(3,4-dimethylphenyl)sulfonyl-N-ethylpiperidin-4-amine
SMILESCCNC1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1
InChIInChI=1S/C15H24N2O2S/c1-4-16-14-7-9-17(10-8-14)20(18,19)15-6-5-12(2)13(3)11-15/h5-6,11,14,16H,4,7-10H2,1-3H3
InChIKeyFVBKQOQPLQXZND-UHFFFAOYSA-N
XLogP2.07
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidine
CID 876436
4-bromo-1-(3,4-dimethylphenyl)sulfonylpiperidine
CID 80673573
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-methylbenzamide
CID 108559241
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-4-ethoxybenzamide
CID 108560371
1-(3,4-dimethylphenyl)sulfonyl-4-(4-methylpiperidin-1-yl)sulfonylpiperazine
CID 6499792
1-(3,4-dimethylphenyl)sulfonyl-4-(piperidin-1-ylmethyl)piperidine
CID 46287318
1-(3,4-dimethylphenyl)sulfonyl-4-ethylsulfonyl-1,4-diazepane
CID 110799629
1-cyclopentylsulfonyl-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 110363746
N-butyl-1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 26590850
[(3S)-1-(3,4-dimethylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 159366004
N-[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-fluorobenzamide
CID 39661741
1-(3,4-dimethylphenyl)sulfonyl-4-isocyanatopiperidine
CID 28941465

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-N-ethylpiperidin-4-amine?
The IUPAC name of 1-(3,4-dimethylphenyl)sulfonyl-N-ethylpiperidin-4-amine (CID 60819969) is 1-(3,4-dimethylphenyl)sulfonyl-N-ethylpiperidin-4-amine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)sulfonyl-N-ethylpiperidin-4-amine?
The canonical SMILES for 1-(3,4-dimethylphenyl)sulfonyl-N-ethylpiperidin-4-amine is CCNC1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1.
What is the InChIKey of 1-(3,4-dimethylphenyl)sulfonyl-N-ethylpiperidin-4-amine?
The InChIKey is FVBKQOQPLQXZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-4-16-14-7-9-17(10-8-14)20(18,19)15-6-5-12(2)13(3)11-15/h5-6,11,14,16H,4,7-10H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)sulfonyl-N-ethylpiperidin-4-amine?
1-(3,4-dimethylphenyl)sulfonyl-N-ethylpiperidin-4-amine has a molecular weight of 296.44 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)sulfonyl-N-ethylpiperidin-4-amine is sourced from PubChem (CID 60819969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).