N-methyl-1-(1-methylsulfonylpiperidin-3-yl)-3-phenylpropan-2-amine

C16H26N2O2S — CID 79609569

IUPACN-methyl-1-(1-methylsulfonylpiperidin-3-yl)-3-phenylpropan-2-amine
SMILESCNC(Cc1ccccc1)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C16H26N2O2S/c1-17-16(11-14-7-4-3-5-8-14)12-15-9-6-10-18(13-15)21(2,19)20/h3-5,7-8,15-17H,6,9-13H2,1-2H3
InChIKeyAEQUHMJRWUGRCJ-UHFFFAOYSA-N
MW310.46 g/mol
LogP1.88
Rot. Bonds6

About N-methyl-1-(1-methylsulfonylpiperidin-3-yl)-3-phenylpropan-2-amine

N-methyl-1-(1-methylsulfonylpiperidin-3-yl)-3-phenylpropan-2-amine (PubChem CID 79609569) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-methyl-1-(1-methylsulfonylpiperidin-3-yl)-3-phenylpropan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(1-methylsulfonylpiperidin-3-yl)-3-phenylpropan-2-amine
PubChem CID79609569
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-methyl-1-(1-methylsulfonylpiperidin-3-yl)-3-phenylpropan-2-amine
SMILESCNC(Cc1ccccc1)CC1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C16H26N2O2S/c1-17-16(11-14-7-4-3-5-8-14)12-15-9-6-10-18(13-15)21(2,19)20/h3-5,7-8,15-17H,6,9-13H2,1-2H3
InChIKeyAEQUHMJRWUGRCJ-UHFFFAOYSA-N
XLogP1.88
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(1-methylsulfonylpiperidin-3-yl)-3-thiophen-3-ylpropan-2-amine
CID 105166920
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)-3-thiophen-2-ylpropan-2-amine
CID 79611861
2-benzyl-3-(1-methylsulfonylpiperidin-3-yl)propan-1-amine
CID 79619745
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 79611003
N-methyl-1-methylsulfanyl-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79612431
1-cycloheptyl-N-methyl-3-phenylpropan-2-amine
CID 114458143
2-(1-methylsulfonylpiperidin-3-yl)-1-phenylethanamine
CID 79610284
4-ethoxy-N-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-amine
CID 105166964
1-ethoxy-N-methyl-3-(1-methylsulfonylpiperidin-3-yl)propan-2-amine
CID 79622286
N-ethyl-1-(1-methylsulfonylpiperidin-3-yl)-3-thiophen-3-ylpropan-2-amine
CID 105166948
1-(3-chlorophenyl)-N-methyl-2-(1-methylsulfonylpiperidin-3-yl)ethanamine
CID 79609321
1-(1-methylsulfonylpiperidin-3-yl)-3-pyridin-4-ylpropan-2-ol
CID 79610988

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylsulfonylpiperidin-3-yl)-3-phenylpropan-2-amine?
The IUPAC name of N-methyl-1-(1-methylsulfonylpiperidin-3-yl)-3-phenylpropan-2-amine (CID 79609569) is N-methyl-1-(1-methylsulfonylpiperidin-3-yl)-3-phenylpropan-2-amine.
What is the SMILES notation for N-methyl-1-(1-methylsulfonylpiperidin-3-yl)-3-phenylpropan-2-amine?
The canonical SMILES for N-methyl-1-(1-methylsulfonylpiperidin-3-yl)-3-phenylpropan-2-amine is CNC(Cc1ccccc1)CC1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of N-methyl-1-(1-methylsulfonylpiperidin-3-yl)-3-phenylpropan-2-amine?
The InChIKey is AEQUHMJRWUGRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-17-16(11-14-7-4-3-5-8-14)12-15-9-6-10-18(13-15)21(2,19)20/h3-5,7-8,15-17H,6,9-13H2,1-2H3.
What are the key properties of N-methyl-1-(1-methylsulfonylpiperidin-3-yl)-3-phenylpropan-2-amine?
N-methyl-1-(1-methylsulfonylpiperidin-3-yl)-3-phenylpropan-2-amine has a molecular weight of 310.46 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylsulfonylpiperidin-3-yl)-3-phenylpropan-2-amine is sourced from PubChem (CID 79609569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).