N,N-diethyl-2-(1-methylsulfonylpiperidin-4-yl)oxyethanamine

C12H26N2O3S — CID 75375409

IUPACN,N-diethyl-2-(1-methylsulfonylpiperidin-4-yl)oxyethanamine
SMILESCCN(CC)CCOC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H26N2O3S/c1-4-13(5-2)10-11-17-12-6-8-14(9-7-12)18(3,15)16/h12H,4-11H2,1-3H3
InChIKeyMBVXQOLUFLOODE-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.77
Rot. Bonds7

About N,N-diethyl-2-(1-methylsulfonylpiperidin-4-yl)oxyethanamine

N,N-diethyl-2-(1-methylsulfonylpiperidin-4-yl)oxyethanamine (PubChem CID 75375409) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is N,N-diethyl-2-(1-methylsulfonylpiperidin-4-yl)oxyethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(1-methylsulfonylpiperidin-4-yl)oxyethanamine
PubChem CID75375409
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC NameN,N-diethyl-2-(1-methylsulfonylpiperidin-4-yl)oxyethanamine
SMILESCCN(CC)CCOC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C12H26N2O3S/c1-4-13(5-2)10-11-17-12-6-8-14(9-7-12)18(3,15)16/h12H,4-11H2,1-3H3
InChIKeyMBVXQOLUFLOODE-UHFFFAOYSA-N
XLogP0.77
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(1-methylsulfonylpiperidin-4-yl)oxyethanamine?
The IUPAC name of N,N-diethyl-2-(1-methylsulfonylpiperidin-4-yl)oxyethanamine (CID 75375409) is N,N-diethyl-2-(1-methylsulfonylpiperidin-4-yl)oxyethanamine.
What is the SMILES notation for N,N-diethyl-2-(1-methylsulfonylpiperidin-4-yl)oxyethanamine?
The canonical SMILES for N,N-diethyl-2-(1-methylsulfonylpiperidin-4-yl)oxyethanamine is CCN(CC)CCOC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N,N-diethyl-2-(1-methylsulfonylpiperidin-4-yl)oxyethanamine?
The InChIKey is MBVXQOLUFLOODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-4-13(5-2)10-11-17-12-6-8-14(9-7-12)18(3,15)16/h12H,4-11H2,1-3H3.
What are the key properties of N,N-diethyl-2-(1-methylsulfonylpiperidin-4-yl)oxyethanamine?
N,N-diethyl-2-(1-methylsulfonylpiperidin-4-yl)oxyethanamine has a molecular weight of 278.42 g/mol, XLogP of 0.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(1-methylsulfonylpiperidin-4-yl)oxyethanamine is sourced from PubChem (CID 75375409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).