N-methyl-1-[1-(2-propylsulfonylphenyl)piperidin-3-yl]methanamine

C16H26N2O2S — CID 61204074

IUPACN-methyl-1-[1-(2-propylsulfonylphenyl)piperidin-3-yl]methanamine
SMILESCCCS(=O)(=O)c1ccccc1N1CCCC(CNC)C1
InChIInChI=1S/C16H26N2O2S/c1-3-11-21(19,20)16-9-5-4-8-15(16)18-10-6-7-14(13-18)12-17-2/h4-5,8-9,14,17H,3,6-7,10-13H2,1-2H3
InChIKeyUUZPKKLXEWDSBG-UHFFFAOYSA-N
MW310.46 g/mol
LogP2.31
Rot. Bonds6

About N-methyl-1-[1-(2-propylsulfonylphenyl)piperidin-3-yl]methanamine

N-methyl-1-[1-(2-propylsulfonylphenyl)piperidin-3-yl]methanamine (PubChem CID 61204074) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-methyl-1-[1-(2-propylsulfonylphenyl)piperidin-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(2-propylsulfonylphenyl)piperidin-3-yl]methanamine
PubChem CID61204074
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-methyl-1-[1-(2-propylsulfonylphenyl)piperidin-3-yl]methanamine
SMILESCCCS(=O)(=O)c1ccccc1N1CCCC(CNC)C1
InChIInChI=1S/C16H26N2O2S/c1-3-11-21(19,20)16-9-5-4-8-15(16)18-10-6-7-14(13-18)12-17-2/h4-5,8-9,14,17H,3,6-7,10-13H2,1-2H3
InChIKeyUUZPKKLXEWDSBG-UHFFFAOYSA-N
XLogP2.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chloroethyl)-1-(2-propylsulfonylphenyl)piperidine
CID 63390486
1-[1-(2-propylsulfonylphenyl)piperidin-3-yl]ethanamine
CID 63852987
3-(2-bromoethyl)-1-(2-propylsulfonylphenyl)pyrrolidine
CID 114800733
N-methyl-2-[3-(methylaminomethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 63267667
[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]-(2-propylsulfonylphenyl)methanone
CID 124613094
[4-methyl-1-(2-propylsulfonylphenyl)piperidin-3-yl]methanamine
CID 114961634
3,5-dimethyl-1-(2-propylsulfonylphenyl)piperazine
CID 62585382
1-[1-(2-propylsulfonylphenyl)piperidin-4-yl]ethanol
CID 106837320
4-(1-bromoethyl)-1-(2-propylsulfonylphenyl)piperidine
CID 106838640
[1-(2-ethylsulfonylphenyl)pyrrolidin-3-yl]methanamine
CID 62063097
2-[1-(2-methylsulfonylphenyl)piperidin-3-yl]ethanol
CID 62358143
N-(cyclobutylmethyl)-2-propylsulfonylaniline
CID 43383343

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2-propylsulfonylphenyl)piperidin-3-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(2-propylsulfonylphenyl)piperidin-3-yl]methanamine (CID 61204074) is N-methyl-1-[1-(2-propylsulfonylphenyl)piperidin-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(2-propylsulfonylphenyl)piperidin-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(2-propylsulfonylphenyl)piperidin-3-yl]methanamine is CCCS(=O)(=O)c1ccccc1N1CCCC(CNC)C1.
What is the InChIKey of N-methyl-1-[1-(2-propylsulfonylphenyl)piperidin-3-yl]methanamine?
The InChIKey is UUZPKKLXEWDSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-3-11-21(19,20)16-9-5-4-8-15(16)18-10-6-7-14(13-18)12-17-2/h4-5,8-9,14,17H,3,6-7,10-13H2,1-2H3.
What are the key properties of N-methyl-1-[1-(2-propylsulfonylphenyl)piperidin-3-yl]methanamine?
N-methyl-1-[1-(2-propylsulfonylphenyl)piperidin-3-yl]methanamine has a molecular weight of 310.46 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2-propylsulfonylphenyl)piperidin-3-yl]methanamine is sourced from PubChem (CID 61204074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).