N-methyl-N-(4-propylsulfonylphenyl)piperidin-3-amine

C15H24N2O2S — CID 63642004

IUPACN-methyl-N-(4-propylsulfonylphenyl)piperidin-3-amine
SMILESCCCS(=O)(=O)c1ccc(N(C)C2CCCNC2)cc1
InChIInChI=1S/C15H24N2O2S/c1-3-11-20(18,19)15-8-6-13(7-9-15)17(2)14-5-4-10-16-12-14/h6-9,14,16H,3-5,10-12H2,1-2H3
InChIKeyNKUAKELKQXDZIH-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.06
Rot. Bonds5

About N-methyl-N-(4-propylsulfonylphenyl)piperidin-3-amine

N-methyl-N-(4-propylsulfonylphenyl)piperidin-3-amine (PubChem CID 63642004) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-methyl-N-(4-propylsulfonylphenyl)piperidin-3-amine.

Molecular Properties

Compound NameN-methyl-N-(4-propylsulfonylphenyl)piperidin-3-amine
PubChem CID63642004
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-methyl-N-(4-propylsulfonylphenyl)piperidin-3-amine
SMILESCCCS(=O)(=O)c1ccc(N(C)C2CCCNC2)cc1
InChIInChI=1S/C15H24N2O2S/c1-3-11-20(18,19)15-8-6-13(7-9-15)17(2)14-5-4-10-16-12-14/h6-9,14,16H,3-5,10-12H2,1-2H3
InChIKeyNKUAKELKQXDZIH-UHFFFAOYSA-N
XLogP2.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-piperidin-3-ylethyl)-4-propylsulfonylaniline
CID 63629751
N-(4-ethylphenyl)-N-methylazepan-3-amine
CID 113229558
N-ethyl-N-(4-ethylsulfonylphenyl)pyrrolidin-3-amine
CID 63300108
4-methyl-N-piperidin-3-yl-N-propylbenzenesulfonamide
CID 60806542
N-(2-bromoethyl)-N-cyclopropyl-4-propylsulfonylaniline
CID 80667657
N-methyl-N-(4-propylphenyl)pyrrolidin-3-amine
CID 115118684
N-methyl-N-piperidin-3-ylmethanesulfonamide
CID 54595457
2-(4-chlorophenyl)sulfonyl-N-methyl-N-(piperidin-3-ylmethyl)ethanamine
CID 106636374
4-[piperidin-3-ylmethyl(propyl)amino]benzenesulfonamide
CID 106643953
3,4-dichloro-N-piperidin-3-yl-N-propylbenzenesulfonamide
CID 63637983
N-ethyl-3,4-dimethyl-N-piperidin-3-ylbenzenesulfonamide
CID 60807373
N-[butyl(methyl)sulfamoyl]-N-methylpiperidin-3-amine
CID 63644066

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-propylsulfonylphenyl)piperidin-3-amine?
The IUPAC name of N-methyl-N-(4-propylsulfonylphenyl)piperidin-3-amine (CID 63642004) is N-methyl-N-(4-propylsulfonylphenyl)piperidin-3-amine.
What is the SMILES notation for N-methyl-N-(4-propylsulfonylphenyl)piperidin-3-amine?
The canonical SMILES for N-methyl-N-(4-propylsulfonylphenyl)piperidin-3-amine is CCCS(=O)(=O)c1ccc(N(C)C2CCCNC2)cc1.
What is the InChIKey of N-methyl-N-(4-propylsulfonylphenyl)piperidin-3-amine?
The InChIKey is NKUAKELKQXDZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-11-20(18,19)15-8-6-13(7-9-15)17(2)14-5-4-10-16-12-14/h6-9,14,16H,3-5,10-12H2,1-2H3.
What are the key properties of N-methyl-N-(4-propylsulfonylphenyl)piperidin-3-amine?
N-methyl-N-(4-propylsulfonylphenyl)piperidin-3-amine has a molecular weight of 296.44 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-propylsulfonylphenyl)piperidin-3-amine is sourced from PubChem (CID 63642004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).