3-methyl-1-(2-methylsulfonylethyl)-N-propylpiperidin-4-amine

C12H26N2O2S — CID 54976635

IUPAC3-methyl-1-(2-methylsulfonylethyl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(CCS(C)(=O)=O)CC1C
InChIInChI=1S/C12H26N2O2S/c1-4-6-13-12-5-7-14(10-11(12)2)8-9-17(3,15)16/h11-13H,4-10H2,1-3H3
InChIKeyXZKHOJQUILHERL-UHFFFAOYSA-N
MW262.42 g/mol
LogP0.74
Rot. Bonds6

About 3-methyl-1-(2-methylsulfonylethyl)-N-propylpiperidin-4-amine

3-methyl-1-(2-methylsulfonylethyl)-N-propylpiperidin-4-amine (PubChem CID 54976635) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 3-methyl-1-(2-methylsulfonylethyl)-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name3-methyl-1-(2-methylsulfonylethyl)-N-propylpiperidin-4-amine
PubChem CID54976635
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC Name3-methyl-1-(2-methylsulfonylethyl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(CCS(C)(=O)=O)CC1C
InChIInChI=1S/C12H26N2O2S/c1-4-6-13-12-5-7-14(10-11(12)2)8-9-17(3,15)16/h11-13H,4-10H2,1-3H3
InChIKeyXZKHOJQUILHERL-UHFFFAOYSA-N
XLogP0.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methylsulfonylethyl)-N-propylpiperidin-4-amine?
The IUPAC name of 3-methyl-1-(2-methylsulfonylethyl)-N-propylpiperidin-4-amine (CID 54976635) is 3-methyl-1-(2-methylsulfonylethyl)-N-propylpiperidin-4-amine.
What is the SMILES notation for 3-methyl-1-(2-methylsulfonylethyl)-N-propylpiperidin-4-amine?
The canonical SMILES for 3-methyl-1-(2-methylsulfonylethyl)-N-propylpiperidin-4-amine is CCCNC1CCN(CCS(C)(=O)=O)CC1C.
What is the InChIKey of 3-methyl-1-(2-methylsulfonylethyl)-N-propylpiperidin-4-amine?
The InChIKey is XZKHOJQUILHERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-4-6-13-12-5-7-14(10-11(12)2)8-9-17(3,15)16/h11-13H,4-10H2,1-3H3.
What are the key properties of 3-methyl-1-(2-methylsulfonylethyl)-N-propylpiperidin-4-amine?
3-methyl-1-(2-methylsulfonylethyl)-N-propylpiperidin-4-amine has a molecular weight of 262.42 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylsulfonylethyl)-N-propylpiperidin-4-amine is sourced from PubChem (CID 54976635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).