N-(2-methoxyethyl)-N-methyl-1-methylsulfanylpiperidin-4-amine

C10H22N2OS — CID 145040316

IUPACN-(2-methoxyethyl)-N-methyl-1-methylsulfanylpiperidin-4-amine
SMILESCOCCN(C)C1CCN(SC)CC1
InChIInChI=1S/C10H22N2OS/c1-11(8-9-13-2)10-4-6-12(14-3)7-5-10/h10H,4-9H2,1-3H3
InChIKeyLDCZKJFJVFDDKA-UHFFFAOYSA-N
MW218.37 g/mol
LogP1.31
Rot. Bonds5

About N-(2-methoxyethyl)-N-methyl-1-methylsulfanylpiperidin-4-amine

N-(2-methoxyethyl)-N-methyl-1-methylsulfanylpiperidin-4-amine (PubChem CID 145040316) has the molecular formula C10H22N2OS and a molecular weight of 218.37 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-methyl-1-methylsulfanylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-methyl-1-methylsulfanylpiperidin-4-amine
PubChem CID145040316
Molecular FormulaC10H22N2OS
Molecular Weight218.37 g/mol
Exact Mass218.15
IUPAC NameN-(2-methoxyethyl)-N-methyl-1-methylsulfanylpiperidin-4-amine
SMILESCOCCN(C)C1CCN(SC)CC1
InChIInChI=1S/C10H22N2OS/c1-11(8-9-13-2)10-4-6-12(14-3)7-5-10/h10H,4-9H2,1-3H3
InChIKeyLDCZKJFJVFDDKA-UHFFFAOYSA-N
XLogP1.31
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-methyl-1-methylsulfanylpiperidin-4-amine?
The IUPAC name of N-(2-methoxyethyl)-N-methyl-1-methylsulfanylpiperidin-4-amine (CID 145040316) is N-(2-methoxyethyl)-N-methyl-1-methylsulfanylpiperidin-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-N-methyl-1-methylsulfanylpiperidin-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-N-methyl-1-methylsulfanylpiperidin-4-amine is COCCN(C)C1CCN(SC)CC1.
What is the InChIKey of N-(2-methoxyethyl)-N-methyl-1-methylsulfanylpiperidin-4-amine?
The InChIKey is LDCZKJFJVFDDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2OS/c1-11(8-9-13-2)10-4-6-12(14-3)7-5-10/h10H,4-9H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N-methyl-1-methylsulfanylpiperidin-4-amine?
N-(2-methoxyethyl)-N-methyl-1-methylsulfanylpiperidin-4-amine has a molecular weight of 218.37 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-methyl-1-methylsulfanylpiperidin-4-amine is sourced from PubChem (CID 145040316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).