2-methyl-1-methylsulfanyl-3-[(1,2,5-trimethylpiperidin-4-yl)amino]propan-2-ol

C13H28N2OS — CID 103784805

IUPAC2-methyl-1-methylsulfanyl-3-[(1,2,5-trimethylpiperidin-4-yl)amino]propan-2-ol
SMILESCSCC(C)(O)CNC1CC(C)N(C)CC1C
InChIInChI=1S/C13H28N2OS/c1-10-7-15(4)11(2)6-12(10)14-8-13(3,16)9-17-5/h10-12,14,16H,6-9H2,1-5H3
InChIKeyHJVVXRQITGFVKT-UHFFFAOYSA-N
MW260.45 g/mol
LogP1.42
Rot. Bonds5

About 2-methyl-1-methylsulfanyl-3-[(1,2,5-trimethylpiperidin-4-yl)amino]propan-2-ol

2-methyl-1-methylsulfanyl-3-[(1,2,5-trimethylpiperidin-4-yl)amino]propan-2-ol (PubChem CID 103784805) has the molecular formula C13H28N2OS and a molecular weight of 260.45 g/mol. Its IUPAC name is 2-methyl-1-methylsulfanyl-3-[(1,2,5-trimethylpiperidin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-methylsulfanyl-3-[(1,2,5-trimethylpiperidin-4-yl)amino]propan-2-ol
PubChem CID103784805
Molecular FormulaC13H28N2OS
Molecular Weight260.45 g/mol
Exact Mass260.19
IUPAC Name2-methyl-1-methylsulfanyl-3-[(1,2,5-trimethylpiperidin-4-yl)amino]propan-2-ol
SMILESCSCC(C)(O)CNC1CC(C)N(C)CC1C
InChIInChI=1S/C13H28N2OS/c1-10-7-15(4)11(2)6-12(10)14-8-13(3,16)9-17-5/h10-12,14,16H,6-9H2,1-5H3
InChIKeyHJVVXRQITGFVKT-UHFFFAOYSA-N
XLogP1.42
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylsulfanyl-3-[(1,2,5-trimethylpiperidin-4-yl)amino]propan-2-ol?
The IUPAC name of 2-methyl-1-methylsulfanyl-3-[(1,2,5-trimethylpiperidin-4-yl)amino]propan-2-ol (CID 103784805) is 2-methyl-1-methylsulfanyl-3-[(1,2,5-trimethylpiperidin-4-yl)amino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-methylsulfanyl-3-[(1,2,5-trimethylpiperidin-4-yl)amino]propan-2-ol?
The canonical SMILES for 2-methyl-1-methylsulfanyl-3-[(1,2,5-trimethylpiperidin-4-yl)amino]propan-2-ol is CSCC(C)(O)CNC1CC(C)N(C)CC1C.
What is the InChIKey of 2-methyl-1-methylsulfanyl-3-[(1,2,5-trimethylpiperidin-4-yl)amino]propan-2-ol?
The InChIKey is HJVVXRQITGFVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2OS/c1-10-7-15(4)11(2)6-12(10)14-8-13(3,16)9-17-5/h10-12,14,16H,6-9H2,1-5H3.
What are the key properties of 2-methyl-1-methylsulfanyl-3-[(1,2,5-trimethylpiperidin-4-yl)amino]propan-2-ol?
2-methyl-1-methylsulfanyl-3-[(1,2,5-trimethylpiperidin-4-yl)amino]propan-2-ol has a molecular weight of 260.45 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylsulfanyl-3-[(1,2,5-trimethylpiperidin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 103784805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).