N-(2-methoxyethyl)-1-methylsulfonylpiperidin-4-amine

C9H20N2O3S — CID 43628950

IUPACN-(2-methoxyethyl)-1-methylsulfonylpiperidin-4-amine
SMILESCOCCNC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C9H20N2O3S/c1-14-8-5-10-9-3-6-11(7-4-9)15(2,12)13/h9-10H,3-8H2,1-2H3
InChIKeyQTHDHPIRZYNKHZ-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.35
Rot. Bonds5

About N-(2-methoxyethyl)-1-methylsulfonylpiperidin-4-amine

N-(2-methoxyethyl)-1-methylsulfonylpiperidin-4-amine (PubChem CID 43628950) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-methylsulfonylpiperidin-4-amine
PubChem CID43628950
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-(2-methoxyethyl)-1-methylsulfonylpiperidin-4-amine
SMILESCOCCNC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C9H20N2O3S/c1-14-8-5-10-9-3-6-11(7-4-9)15(2,12)13/h9-10H,3-8H2,1-2H3
InChIKeyQTHDHPIRZYNKHZ-UHFFFAOYSA-N
XLogP-0.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of N-(2-methoxyethyl)-1-methylsulfonylpiperidin-4-amine (CID 43628950) is N-(2-methoxyethyl)-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-1-methylsulfonylpiperidin-4-amine is COCCNC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-(2-methoxyethyl)-1-methylsulfonylpiperidin-4-amine?
The InChIKey is QTHDHPIRZYNKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c1-14-8-5-10-9-3-6-11(7-4-9)15(2,12)13/h9-10H,3-8H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-1-methylsulfonylpiperidin-4-amine?
N-(2-methoxyethyl)-1-methylsulfonylpiperidin-4-amine has a molecular weight of 236.34 g/mol, XLogP of -0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 43628950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).