2,3-dimethyl-1-(2-methylsulfanylpropyl)-N-propylpiperidin-4-amine

C14H30N2S — CID 113466578

IUPAC2,3-dimethyl-1-(2-methylsulfanylpropyl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(CC(C)SC)C(C)C1C
InChIInChI=1S/C14H30N2S/c1-6-8-15-14-7-9-16(10-11(2)17-5)13(4)12(14)3/h11-15H,6-10H2,1-5H3
InChIKeyZIETWKCLSCHXRU-UHFFFAOYSA-N
MW258.47 g/mol
LogP2.84
Rot. Bonds6

About 2,3-dimethyl-1-(2-methylsulfanylpropyl)-N-propylpiperidin-4-amine

2,3-dimethyl-1-(2-methylsulfanylpropyl)-N-propylpiperidin-4-amine (PubChem CID 113466578) has the molecular formula C14H30N2S and a molecular weight of 258.47 g/mol. Its IUPAC name is 2,3-dimethyl-1-(2-methylsulfanylpropyl)-N-propylpiperidin-4-amine.

Molecular Properties

Compound Name2,3-dimethyl-1-(2-methylsulfanylpropyl)-N-propylpiperidin-4-amine
PubChem CID113466578
Molecular FormulaC14H30N2S
Molecular Weight258.47 g/mol
Exact Mass258.21
IUPAC Name2,3-dimethyl-1-(2-methylsulfanylpropyl)-N-propylpiperidin-4-amine
SMILESCCCNC1CCN(CC(C)SC)C(C)C1C
InChIInChI=1S/C14H30N2S/c1-6-8-15-14-7-9-16(10-11(2)17-5)13(4)12(14)3/h11-15H,6-10H2,1-5H3
InChIKeyZIETWKCLSCHXRU-UHFFFAOYSA-N
XLogP2.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.47
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,3-dimethyl-1-(2-methylsulfanylpropyl)-N-propylpiperidin-4-amine 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 2,3-dimethyl-1-(2-methylsulfanylpropyl)-N-propylpiperidin-4-amine?
The IUPAC name of 2,3-dimethyl-1-(2-methylsulfanylpropyl)-N-propylpiperidin-4-amine (CID 113466578) is 2,3-dimethyl-1-(2-methylsulfanylpropyl)-N-propylpiperidin-4-amine.
What is the SMILES notation for 2,3-dimethyl-1-(2-methylsulfanylpropyl)-N-propylpiperidin-4-amine?
The canonical SMILES for 2,3-dimethyl-1-(2-methylsulfanylpropyl)-N-propylpiperidin-4-amine is CCCNC1CCN(CC(C)SC)C(C)C1C.
What is the InChIKey of 2,3-dimethyl-1-(2-methylsulfanylpropyl)-N-propylpiperidin-4-amine?
The InChIKey is ZIETWKCLSCHXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2S/c1-6-8-15-14-7-9-16(10-11(2)17-5)13(4)12(14)3/h11-15H,6-10H2,1-5H3.
What are the key properties of 2,3-dimethyl-1-(2-methylsulfanylpropyl)-N-propylpiperidin-4-amine?
2,3-dimethyl-1-(2-methylsulfanylpropyl)-N-propylpiperidin-4-amine has a molecular weight of 258.47 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(2-methylsulfanylpropyl)-N-propylpiperidin-4-amine is sourced from PubChem (CID 113466578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).