[2-(4-ethyl-4-methylpiperidin-1-yl)sulfonylphenyl]methanamine

C15H24N2O2S — CID 63159552

IUPAC[2-(4-ethyl-4-methylpiperidin-1-yl)sulfonylphenyl]methanamine
SMILESCCC1(C)CCN(S(=O)(=O)c2ccccc2CN)CC1
InChIInChI=1S/C15H24N2O2S/c1-3-15(2)8-10-17(11-9-15)20(18,19)14-7-5-4-6-13(14)12-16/h4-7H,3,8-12,16H2,1-2H3
InChIKeyPIWBYEIUMQWDQR-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.35
Rot. Bonds4

About [2-(4-ethyl-4-methylpiperidin-1-yl)sulfonylphenyl]methanamine

[2-(4-ethyl-4-methylpiperidin-1-yl)sulfonylphenyl]methanamine (PubChem CID 63159552) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is [2-(4-ethyl-4-methylpiperidin-1-yl)sulfonylphenyl]methanamine.

Molecular Properties

Compound Name[2-(4-ethyl-4-methylpiperidin-1-yl)sulfonylphenyl]methanamine
PubChem CID63159552
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name[2-(4-ethyl-4-methylpiperidin-1-yl)sulfonylphenyl]methanamine
SMILESCCC1(C)CCN(S(=O)(=O)c2ccccc2CN)CC1
InChIInChI=1S/C15H24N2O2S/c1-3-15(2)8-10-17(11-9-15)20(18,19)14-7-5-4-6-13(14)12-16/h4-7H,3,8-12,16H2,1-2H3
InChIKeyPIWBYEIUMQWDQR-UHFFFAOYSA-N
XLogP2.35
TPSA63.40 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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-N-methylaniline
CID 63162352
[4-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-3-fluorophenyl]methanamine
CID 79179857
[2-(2,2-dimethylpyrrolidin-1-yl)sulfonylphenyl]methanamine
CID 63220011
[5-(4-ethyl-4-methylpiperidin-1-yl)sulfonylthiophen-2-yl]methanamine
CID 55160071
2-(4,4-diethylpiperidin-1-yl)sulfonylaniline
CID 63156931
3-(4-ethyl-4-methylpiperidin-1-yl)sulfonyl-4,5-dimethylaniline
CID 63157152
[3-methyl-1-(2-methylsulfonylphenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 120777820
1-(2-bromo-4-methylphenyl)sulfonyl-4-ethyl-4-methylpiperidine
CID 62733884
N-ethyl-4-(4-ethyl-4-methylpiperidin-1-yl)sulfonylaniline
CID 63162308
2-(4,4-dimethylpiperidin-1-yl)sulfonylbenzenesulfonamide
CID 62929979
[2-[(4,4-dimethylpiperidin-1-yl)sulfonylmethyl]phenyl]methanamine
CID 62937783
2-chloro-4-(4-ethyl-4-methylpiperidin-1-yl)sulfonylaniline
CID 115330063

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethyl-4-methylpiperidin-1-yl)sulfonylphenyl]methanamine?
The IUPAC name of [2-(4-ethyl-4-methylpiperidin-1-yl)sulfonylphenyl]methanamine (CID 63159552) is [2-(4-ethyl-4-methylpiperidin-1-yl)sulfonylphenyl]methanamine.
What is the SMILES notation for [2-(4-ethyl-4-methylpiperidin-1-yl)sulfonylphenyl]methanamine?
The canonical SMILES for [2-(4-ethyl-4-methylpiperidin-1-yl)sulfonylphenyl]methanamine is CCC1(C)CCN(S(=O)(=O)c2ccccc2CN)CC1.
What is the InChIKey of [2-(4-ethyl-4-methylpiperidin-1-yl)sulfonylphenyl]methanamine?
The InChIKey is PIWBYEIUMQWDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-15(2)8-10-17(11-9-15)20(18,19)14-7-5-4-6-13(14)12-16/h4-7H,3,8-12,16H2,1-2H3.
What are the key properties of [2-(4-ethyl-4-methylpiperidin-1-yl)sulfonylphenyl]methanamine?
[2-(4-ethyl-4-methylpiperidin-1-yl)sulfonylphenyl]methanamine has a molecular weight of 296.44 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethyl-4-methylpiperidin-1-yl)sulfonylphenyl]methanamine is sourced from PubChem (CID 63159552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).