N-ethyl-N-[2-[(5-propan-2-yl-2-pyridinyl)oxy]ethyl]methanesulfonamide

C13H22N2O3S — CID 21057016

IUPACN-ethyl-N-[2-[(5-propan-2-yl-2-pyridinyl)oxy]ethyl]methanesulfonamide
SMILESCCN(CCOc1ccc(C(C)C)cn1)S(C)(=O)=O
InChIInChI=1S/C13H22N2O3S/c1-5-15(19(4,16)17)8-9-18-13-7-6-12(10-14-13)11(2)3/h6-7,10-11H,5,8-9H2,1-4H3
InChIKeyLWYSCBAIJNVXCS-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.87
Rot. Bonds7

About N-ethyl-N-[2-[(5-propan-2-yl-2-pyridinyl)oxy]ethyl]methanesulfonamide

N-ethyl-N-[2-[(5-propan-2-yl-2-pyridinyl)oxy]ethyl]methanesulfonamide (PubChem CID 21057016) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-ethyl-N-[2-[(5-propan-2-yl-2-pyridinyl)oxy]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[(5-propan-2-yl-2-pyridinyl)oxy]ethyl]methanesulfonamide
PubChem CID21057016
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN-ethyl-N-[2-[(5-propan-2-yl-2-pyridinyl)oxy]ethyl]methanesulfonamide
SMILESCCN(CCOc1ccc(C(C)C)cn1)S(C)(=O)=O
InChIInChI=1S/C13H22N2O3S/c1-5-15(19(4,16)17)8-9-18-13-7-6-12(10-14-13)11(2)3/h6-7,10-11H,5,8-9H2,1-4H3
InChIKeyLWYSCBAIJNVXCS-UHFFFAOYSA-N
XLogP1.87
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[(5-propan-2-yl-2-pyridinyl)oxy]ethyl]methanesulfonamide?
The IUPAC name of N-ethyl-N-[2-[(5-propan-2-yl-2-pyridinyl)oxy]ethyl]methanesulfonamide (CID 21057016) is N-ethyl-N-[2-[(5-propan-2-yl-2-pyridinyl)oxy]ethyl]methanesulfonamide.
What is the SMILES notation for N-ethyl-N-[2-[(5-propan-2-yl-2-pyridinyl)oxy]ethyl]methanesulfonamide?
The canonical SMILES for N-ethyl-N-[2-[(5-propan-2-yl-2-pyridinyl)oxy]ethyl]methanesulfonamide is CCN(CCOc1ccc(C(C)C)cn1)S(C)(=O)=O.
What is the InChIKey of N-ethyl-N-[2-[(5-propan-2-yl-2-pyridinyl)oxy]ethyl]methanesulfonamide?
The InChIKey is LWYSCBAIJNVXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-5-15(19(4,16)17)8-9-18-13-7-6-12(10-14-13)11(2)3/h6-7,10-11H,5,8-9H2,1-4H3.
What are the key properties of N-ethyl-N-[2-[(5-propan-2-yl-2-pyridinyl)oxy]ethyl]methanesulfonamide?
N-ethyl-N-[2-[(5-propan-2-yl-2-pyridinyl)oxy]ethyl]methanesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.87, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[(5-propan-2-yl-2-pyridinyl)oxy]ethyl]methanesulfonamide is sourced from PubChem (CID 21057016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).