N,N-diethyl-1-methylsulfonylpiperidine-4-carboxamide

C11H22N2O3S — CID 1081276

IUPACN,N-diethyl-1-methylsulfonylpiperidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H22N2O3S/c1-4-12(5-2)11(14)10-6-8-13(9-7-10)17(3,15)16/h10H,4-9H2,1-3H3
InChIKeyDAVWOCYHAYDEBI-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.53
Rot. Bonds4

About N,N-diethyl-1-methylsulfonylpiperidine-4-carboxamide

N,N-diethyl-1-methylsulfonylpiperidine-4-carboxamide (PubChem CID 1081276) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N,N-diethyl-1-methylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-methylsulfonylpiperidine-4-carboxamide
PubChem CID1081276
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN,N-diethyl-1-methylsulfonylpiperidine-4-carboxamide
SMILESCCN(CC)C(=O)C1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H22N2O3S/c1-4-12(5-2)11(14)10-6-8-13(9-7-10)17(3,15)16/h10H,4-9H2,1-3H3
InChIKeyDAVWOCYHAYDEBI-UHFFFAOYSA-N
XLogP0.53
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-methylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N,N-diethyl-1-methylsulfonylpiperidine-4-carboxamide (CID 1081276) is N,N-diethyl-1-methylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N,N-diethyl-1-methylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N,N-diethyl-1-methylsulfonylpiperidine-4-carboxamide is CCN(CC)C(=O)C1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N,N-diethyl-1-methylsulfonylpiperidine-4-carboxamide?
The InChIKey is DAVWOCYHAYDEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-4-12(5-2)11(14)10-6-8-13(9-7-10)17(3,15)16/h10H,4-9H2,1-3H3.
What are the key properties of N,N-diethyl-1-methylsulfonylpiperidine-4-carboxamide?
N,N-diethyl-1-methylsulfonylpiperidine-4-carboxamide has a molecular weight of 262.37 g/mol, XLogP of 0.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-methylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 1081276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).