[4-methyl-1-(4-propylsulfonylphenyl)piperidin-3-yl]methanamine

C16H26N2O2S — CID 114961731

IUPAC[4-methyl-1-(4-propylsulfonylphenyl)piperidin-3-yl]methanamine
SMILESCCCS(=O)(=O)c1ccc(N2CCC(C)C(CN)C2)cc1
InChIInChI=1S/C16H26N2O2S/c1-3-10-21(19,20)16-6-4-15(5-7-16)18-9-8-13(2)14(11-17)12-18/h4-7,13-14H,3,8-12,17H2,1-2H3
InChIKeyOMKZFEPGPVMLTF-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.29
Rot. Bonds5

About [4-methyl-1-(4-propylsulfonylphenyl)piperidin-3-yl]methanamine

[4-methyl-1-(4-propylsulfonylphenyl)piperidin-3-yl]methanamine (PubChem CID 114961731) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is [4-methyl-1-(4-propylsulfonylphenyl)piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-(4-propylsulfonylphenyl)piperidin-3-yl]methanamine
PubChem CID114961731
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name[4-methyl-1-(4-propylsulfonylphenyl)piperidin-3-yl]methanamine
SMILESCCCS(=O)(=O)c1ccc(N2CCC(C)C(CN)C2)cc1
InChIInChI=1S/C16H26N2O2S/c1-3-10-21(19,20)16-6-4-15(5-7-16)18-9-8-13(2)14(11-17)12-18/h4-7,13-14H,3,8-12,17H2,1-2H3
InChIKeyOMKZFEPGPVMLTF-UHFFFAOYSA-N
XLogP2.29
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(4-propylsulfonylphenyl)piperidin-3-yl]methanamine?
The IUPAC name of [4-methyl-1-(4-propylsulfonylphenyl)piperidin-3-yl]methanamine (CID 114961731) is [4-methyl-1-(4-propylsulfonylphenyl)piperidin-3-yl]methanamine.
What is the SMILES notation for [4-methyl-1-(4-propylsulfonylphenyl)piperidin-3-yl]methanamine?
The canonical SMILES for [4-methyl-1-(4-propylsulfonylphenyl)piperidin-3-yl]methanamine is CCCS(=O)(=O)c1ccc(N2CCC(C)C(CN)C2)cc1.
What is the InChIKey of [4-methyl-1-(4-propylsulfonylphenyl)piperidin-3-yl]methanamine?
The InChIKey is OMKZFEPGPVMLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-3-10-21(19,20)16-6-4-15(5-7-16)18-9-8-13(2)14(11-17)12-18/h4-7,13-14H,3,8-12,17H2,1-2H3.
What are the key properties of [4-methyl-1-(4-propylsulfonylphenyl)piperidin-3-yl]methanamine?
[4-methyl-1-(4-propylsulfonylphenyl)piperidin-3-yl]methanamine has a molecular weight of 310.46 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(4-propylsulfonylphenyl)piperidin-3-yl]methanamine is sourced from PubChem (CID 114961731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).