N-[2-(3-hydroxy-4-methylanilino)ethyl]methanesulfonamide

C10H16N2O3S — CID 22406160

IUPACN-[2-(3-hydroxy-4-methylanilino)ethyl]methanesulfonamide
SMILESCc1ccc(NCCNS(C)(=O)=O)cc1O
InChIInChI=1S/C10H16N2O3S/c1-8-3-4-9(7-10(8)13)11-5-6-12-16(2,14)15/h3-4,7,11-13H,5-6H2,1-2H3
InChIKeyMLQKWJAVASMXOD-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.66
Rot. Bonds5

About N-[2-(3-hydroxy-4-methylanilino)ethyl]methanesulfonamide

N-[2-(3-hydroxy-4-methylanilino)ethyl]methanesulfonamide (PubChem CID 22406160) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is N-[2-(3-hydroxy-4-methylanilino)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(3-hydroxy-4-methylanilino)ethyl]methanesulfonamide
PubChem CID22406160
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC NameN-[2-(3-hydroxy-4-methylanilino)ethyl]methanesulfonamide
SMILESCc1ccc(NCCNS(C)(=O)=O)cc1O
InChIInChI=1S/C10H16N2O3S/c1-8-3-4-9(7-10(8)13)11-5-6-12-16(2,14)15/h3-4,7,11-13H,5-6H2,1-2H3
InChIKeyMLQKWJAVASMXOD-UHFFFAOYSA-N
XLogP0.66
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(3-hydroxy-4-methylanilino)ethyl]methanesulfonamide?
The IUPAC name of N-[2-(3-hydroxy-4-methylanilino)ethyl]methanesulfonamide (CID 22406160) is N-[2-(3-hydroxy-4-methylanilino)ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-(3-hydroxy-4-methylanilino)ethyl]methanesulfonamide?
The canonical SMILES for N-[2-(3-hydroxy-4-methylanilino)ethyl]methanesulfonamide is Cc1ccc(NCCNS(C)(=O)=O)cc1O.
What is the InChIKey of N-[2-(3-hydroxy-4-methylanilino)ethyl]methanesulfonamide?
The InChIKey is MLQKWJAVASMXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-8-3-4-9(7-10(8)13)11-5-6-12-16(2,14)15/h3-4,7,11-13H,5-6H2,1-2H3.
What are the key properties of N-[2-(3-hydroxy-4-methylanilino)ethyl]methanesulfonamide?
N-[2-(3-hydroxy-4-methylanilino)ethyl]methanesulfonamide has a molecular weight of 244.32 g/mol, XLogP of 0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-hydroxy-4-methylanilino)ethyl]methanesulfonamide is sourced from PubChem (CID 22406160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).