N,N-dimethyl-2-[2-(4-methylphenyl)sulfonylethoxy]ethanamine

C13H21NO3S — CID 59392278

IUPACN,N-dimethyl-2-[2-(4-methylphenyl)sulfonylethoxy]ethanamine
SMILESCc1ccc(S(=O)(=O)CCOCCN(C)C)cc1
InChIInChI=1S/C13H21NO3S/c1-12-4-6-13(7-5-12)18(15,16)11-10-17-9-8-14(2)3/h4-7H,8-11H2,1-3H3
InChIKeyHQPOUZSJBXJDOT-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.35
Rot. Bonds7

About N,N-dimethyl-2-[2-(4-methylphenyl)sulfonylethoxy]ethanamine

N,N-dimethyl-2-[2-(4-methylphenyl)sulfonylethoxy]ethanamine (PubChem CID 59392278) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-(4-methylphenyl)sulfonylethoxy]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-(4-methylphenyl)sulfonylethoxy]ethanamine
PubChem CID59392278
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC NameN,N-dimethyl-2-[2-(4-methylphenyl)sulfonylethoxy]ethanamine
SMILESCc1ccc(S(=O)(=O)CCOCCN(C)C)cc1
InChIInChI=1S/C13H21NO3S/c1-12-4-6-13(7-5-12)18(15,16)11-10-17-9-8-14(2)3/h4-7H,8-11H2,1-3H3
InChIKeyHQPOUZSJBXJDOT-UHFFFAOYSA-N
XLogP1.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.35
H-Bond Donors ≤ 50
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,N-dimethyl-2-[2-(4-methylphenyl)sulfonylethoxy]ethanamine?
The IUPAC name of N,N-dimethyl-2-[2-(4-methylphenyl)sulfonylethoxy]ethanamine (CID 59392278) is N,N-dimethyl-2-[2-(4-methylphenyl)sulfonylethoxy]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[2-(4-methylphenyl)sulfonylethoxy]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[2-(4-methylphenyl)sulfonylethoxy]ethanamine is Cc1ccc(S(=O)(=O)CCOCCN(C)C)cc1.
What is the InChIKey of N,N-dimethyl-2-[2-(4-methylphenyl)sulfonylethoxy]ethanamine?
The InChIKey is HQPOUZSJBXJDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-12-4-6-13(7-5-12)18(15,16)11-10-17-9-8-14(2)3/h4-7H,8-11H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[2-(4-methylphenyl)sulfonylethoxy]ethanamine?
N,N-dimethyl-2-[2-(4-methylphenyl)sulfonylethoxy]ethanamine has a molecular weight of 271.38 g/mol, XLogP of 1.35, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-(4-methylphenyl)sulfonylethoxy]ethanamine is sourced from PubChem (CID 59392278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).