1-(2-methylpiperidin-1-yl)-2-methylsulfanyl-2-piperidin-4-ylethanone

C14H26N2OS — CID 70670010

IUPAC1-(2-methylpiperidin-1-yl)-2-methylsulfanyl-2-piperidin-4-ylethanone
SMILESCSC(C(=O)N1CCCCC1C)C1CCNCC1
InChIInChI=1S/C14H26N2OS/c1-11-5-3-4-10-16(11)14(17)13(18-2)12-6-8-15-9-7-12/h11-13,15H,3-10H2,1-2H3
InChIKeyWCAXNCVCEZEJMU-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.12
Rot. Bonds3

About 1-(2-methylpiperidin-1-yl)-2-methylsulfanyl-2-piperidin-4-ylethanone

1-(2-methylpiperidin-1-yl)-2-methylsulfanyl-2-piperidin-4-ylethanone (PubChem CID 70670010) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 1-(2-methylpiperidin-1-yl)-2-methylsulfanyl-2-piperidin-4-ylethanone.

Molecular Properties

Compound Name1-(2-methylpiperidin-1-yl)-2-methylsulfanyl-2-piperidin-4-ylethanone
PubChem CID70670010
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name1-(2-methylpiperidin-1-yl)-2-methylsulfanyl-2-piperidin-4-ylethanone
SMILESCSC(C(=O)N1CCCCC1C)C1CCNCC1
InChIInChI=1S/C14H26N2OS/c1-11-5-3-4-10-16(11)14(17)13(18-2)12-6-8-15-9-7-12/h11-13,15H,3-10H2,1-2H3
InChIKeyWCAXNCVCEZEJMU-UHFFFAOYSA-N
XLogP2.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-methylpiperidin-1-yl)-2-methylsulfanyl-2-piperidin-4-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpiperidin-1-yl)-2-methylsulfanyl-2-piperidin-4-ylethanone?
The IUPAC name of 1-(2-methylpiperidin-1-yl)-2-methylsulfanyl-2-piperidin-4-ylethanone (CID 70670010) is 1-(2-methylpiperidin-1-yl)-2-methylsulfanyl-2-piperidin-4-ylethanone.
What is the SMILES notation for 1-(2-methylpiperidin-1-yl)-2-methylsulfanyl-2-piperidin-4-ylethanone?
The canonical SMILES for 1-(2-methylpiperidin-1-yl)-2-methylsulfanyl-2-piperidin-4-ylethanone is CSC(C(=O)N1CCCCC1C)C1CCNCC1.
What is the InChIKey of 1-(2-methylpiperidin-1-yl)-2-methylsulfanyl-2-piperidin-4-ylethanone?
The InChIKey is WCAXNCVCEZEJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-11-5-3-4-10-16(11)14(17)13(18-2)12-6-8-15-9-7-12/h11-13,15H,3-10H2,1-2H3.
What are the key properties of 1-(2-methylpiperidin-1-yl)-2-methylsulfanyl-2-piperidin-4-ylethanone?
1-(2-methylpiperidin-1-yl)-2-methylsulfanyl-2-piperidin-4-ylethanone has a molecular weight of 270.44 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpiperidin-1-yl)-2-methylsulfanyl-2-piperidin-4-ylethanone is sourced from PubChem (CID 70670010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).