[1-[2-(2-methylphenoxy)ethyl]pyrrolidin-2-yl]methanesulfonamide

C14H22N2O3S — CID 71912006

IUPAC[1-[2-(2-methylphenoxy)ethyl]pyrrolidin-2-yl]methanesulfonamide
SMILESCc1ccccc1OCCN1CCCC1CS(N)(=O)=O
InChIInChI=1S/C14H22N2O3S/c1-12-5-2-3-7-14(12)19-10-9-16-8-4-6-13(16)11-20(15,17)18/h2-3,5,7,13H,4,6,8-11H2,1H3,(H2,15,17,18)
InChIKeyRWSXOZUUTRFJBQ-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.13
Rot. Bonds6

About [1-[2-(2-methylphenoxy)ethyl]pyrrolidin-2-yl]methanesulfonamide

[1-[2-(2-methylphenoxy)ethyl]pyrrolidin-2-yl]methanesulfonamide (PubChem CID 71912006) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is [1-[2-(2-methylphenoxy)ethyl]pyrrolidin-2-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-[2-(2-methylphenoxy)ethyl]pyrrolidin-2-yl]methanesulfonamide
PubChem CID71912006
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name[1-[2-(2-methylphenoxy)ethyl]pyrrolidin-2-yl]methanesulfonamide
SMILESCc1ccccc1OCCN1CCCC1CS(N)(=O)=O
InChIInChI=1S/C14H22N2O3S/c1-12-5-2-3-7-14(12)19-10-9-16-8-4-6-13(16)11-20(15,17)18/h2-3,5,7,13H,4,6,8-11H2,1H3,(H2,15,17,18)
InChIKeyRWSXOZUUTRFJBQ-UHFFFAOYSA-N
XLogP1.13
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-methylphenoxy)ethyl]pyrrolidin-2-yl]methanesulfonamide?
The IUPAC name of [1-[2-(2-methylphenoxy)ethyl]pyrrolidin-2-yl]methanesulfonamide (CID 71912006) is [1-[2-(2-methylphenoxy)ethyl]pyrrolidin-2-yl]methanesulfonamide.
What is the SMILES notation for [1-[2-(2-methylphenoxy)ethyl]pyrrolidin-2-yl]methanesulfonamide?
The canonical SMILES for [1-[2-(2-methylphenoxy)ethyl]pyrrolidin-2-yl]methanesulfonamide is Cc1ccccc1OCCN1CCCC1CS(N)(=O)=O.
What is the InChIKey of [1-[2-(2-methylphenoxy)ethyl]pyrrolidin-2-yl]methanesulfonamide?
The InChIKey is RWSXOZUUTRFJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-12-5-2-3-7-14(12)19-10-9-16-8-4-6-13(16)11-20(15,17)18/h2-3,5,7,13H,4,6,8-11H2,1H3,(H2,15,17,18).
What are the key properties of [1-[2-(2-methylphenoxy)ethyl]pyrrolidin-2-yl]methanesulfonamide?
[1-[2-(2-methylphenoxy)ethyl]pyrrolidin-2-yl]methanesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-methylphenoxy)ethyl]pyrrolidin-2-yl]methanesulfonamide is sourced from PubChem (CID 71912006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).