N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]methanesulfonamide

C13H21NO3S — CID 578985

IUPACN-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]methanesulfonamide
SMILESCc1ccc(C(C)C)c(OCCNS(C)(=O)=O)c1
InChIInChI=1S/C13H21NO3S/c1-10(2)12-6-5-11(3)9-13(12)17-8-7-14-18(4,15)16/h5-6,9-10,14H,7-8H2,1-4H3
InChIKeyOLOSRTULBFDHMP-UHFFFAOYSA-N
MW271.38 g/mol
LogP2.05
Rot. Bonds6

About N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]methanesulfonamide

N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]methanesulfonamide (PubChem CID 578985) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]methanesulfonamide
PubChem CID578985
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]methanesulfonamide
SMILESCc1ccc(C(C)C)c(OCCNS(C)(=O)=O)c1
InChIInChI=1S/C13H21NO3S/c1-10(2)12-6-5-11(3)9-13(12)17-8-7-14-18(4,15)16/h5-6,9-10,14H,7-8H2,1-4H3
InChIKeyOLOSRTULBFDHMP-UHFFFAOYSA-N
XLogP2.05
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(5-methyl-2-propan-2-ylphenoxy)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]methanesulfonamide (CID 578985) is N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]methanesulfonamide is Cc1ccc(C(C)C)c(OCCNS(C)(=O)=O)c1.
What is the InChIKey of N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]methanesulfonamide?
The InChIKey is OLOSRTULBFDHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-10(2)12-6-5-11(3)9-13(12)17-8-7-14-18(4,15)16/h5-6,9-10,14H,7-8H2,1-4H3.
What are the key properties of N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]methanesulfonamide?
N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]methanesulfonamide has a molecular weight of 271.38 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]methanesulfonamide is sourced from PubChem (CID 578985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).