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

C15H24N2O2S — CID 114695397

IUPAC2-methyl-N-(4-propylsulfonylphenyl)piperidin-3-amine
SMILESCCCS(=O)(=O)c1ccc(NC2CCCNC2C)cc1
InChIInChI=1S/C15H24N2O2S/c1-3-11-20(18,19)14-8-6-13(7-9-14)17-15-5-4-10-16-12(15)2/h6-9,12,15-17H,3-5,10-11H2,1-2H3
InChIKeyQFHPAQQPTLFVDA-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.42
Rot. Bonds5

About 2-methyl-N-(4-propylsulfonylphenyl)piperidin-3-amine

2-methyl-N-(4-propylsulfonylphenyl)piperidin-3-amine (PubChem CID 114695397) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 2-methyl-N-(4-propylsulfonylphenyl)piperidin-3-amine.

Molecular Properties

Compound Name2-methyl-N-(4-propylsulfonylphenyl)piperidin-3-amine
PubChem CID114695397
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name2-methyl-N-(4-propylsulfonylphenyl)piperidin-3-amine
SMILESCCCS(=O)(=O)c1ccc(NC2CCCNC2C)cc1
InChIInChI=1S/C15H24N2O2S/c1-3-11-20(18,19)14-8-6-13(7-9-14)17-15-5-4-10-16-12(15)2/h6-9,12,15-17H,3-5,10-11H2,1-2H3
InChIKeyQFHPAQQPTLFVDA-UHFFFAOYSA-N
XLogP2.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-propylsulfonylphenyl)piperidin-3-amine?
The IUPAC name of 2-methyl-N-(4-propylsulfonylphenyl)piperidin-3-amine (CID 114695397) is 2-methyl-N-(4-propylsulfonylphenyl)piperidin-3-amine.
What is the SMILES notation for 2-methyl-N-(4-propylsulfonylphenyl)piperidin-3-amine?
The canonical SMILES for 2-methyl-N-(4-propylsulfonylphenyl)piperidin-3-amine is CCCS(=O)(=O)c1ccc(NC2CCCNC2C)cc1.
What is the InChIKey of 2-methyl-N-(4-propylsulfonylphenyl)piperidin-3-amine?
The InChIKey is QFHPAQQPTLFVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-11-20(18,19)14-8-6-13(7-9-14)17-15-5-4-10-16-12(15)2/h6-9,12,15-17H,3-5,10-11H2,1-2H3.
What are the key properties of 2-methyl-N-(4-propylsulfonylphenyl)piperidin-3-amine?
2-methyl-N-(4-propylsulfonylphenyl)piperidin-3-amine has a molecular weight of 296.44 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-propylsulfonylphenyl)piperidin-3-amine is sourced from PubChem (CID 114695397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).