2-(benzenesulfonyl)ethoxy-dimethylazanium

C10H16NO3S+ — CID 173223937

IUPAC2-(benzenesulfonyl)ethoxy-dimethylazanium
SMILESC[NH+](C)OCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H15NO3S/c1-11(2)14-8-9-15(12,13)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3/p+1
InChIKeyDRTAOJDAJHDTEZ-UHFFFAOYSA-O
MW230.31 g/mol
LogP-0.46
Rot. Bonds5

About 2-(benzenesulfonyl)ethoxy-dimethylazanium

2-(benzenesulfonyl)ethoxy-dimethylazanium (PubChem CID 173223937) has the molecular formula C10H16NO3S+ and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(benzenesulfonyl)ethoxy-dimethylazanium.

Molecular Properties

Compound Name2-(benzenesulfonyl)ethoxy-dimethylazanium
PubChem CID173223937
Molecular FormulaC10H16NO3S+
Molecular Weight230.31 g/mol
Exact Mass230.08
IUPAC Name2-(benzenesulfonyl)ethoxy-dimethylazanium
SMILESC[NH+](C)OCCS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H15NO3S/c1-11(2)14-8-9-15(12,13)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3/p+1
InChIKeyDRTAOJDAJHDTEZ-UHFFFAOYSA-O
XLogP-0.46
TPSA47.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-fluoroethylsulfonylbenzene
CID 66796542
1,4-bis(2-methoxyethylsulfonyl)benzene
CID 121011835
2-(benzenesulfonyl)ethylsulfanylbenzene
CID 737205
2-(benzenesulfonyl)-N-methylethanamine;hydrochloride
CID 155973548
4-bromobutylsulfonylbenzene
CID 11482789
2-(benzenesulfonyl)ethyl-chloromercury
CID 13270826
N-[2-(benzenesulfonyl)ethoxy-(2-chloroethylamino)phosphoryl]-2-chloroethanamine
CID 11303814
2-(benzenesulfonyl)ethyl N-phenylcarbamate
CID 14081594
4-[2-(benzenesulfonyl)ethoxy]benzoic acid
CID 43532538
1-[2-(benzenesulfonyl)ethyl]-4-methylbenzene;ethane
CID 158891776
6-(benzenesulfonyl)hexane-1-sulfonic acid
CID 123592456
1,4-bis[2-(benzenesulfonyl)ethyl]piperazine-1,4-diium
CID 7201585

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)ethoxy-dimethylazanium?
The IUPAC name of 2-(benzenesulfonyl)ethoxy-dimethylazanium (CID 173223937) is 2-(benzenesulfonyl)ethoxy-dimethylazanium.
What is the SMILES notation for 2-(benzenesulfonyl)ethoxy-dimethylazanium?
The canonical SMILES for 2-(benzenesulfonyl)ethoxy-dimethylazanium is C[NH+](C)OCCS(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)ethoxy-dimethylazanium?
The InChIKey is DRTAOJDAJHDTEZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H15NO3S/c1-11(2)14-8-9-15(12,13)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3/p+1.
What are the key properties of 2-(benzenesulfonyl)ethoxy-dimethylazanium?
2-(benzenesulfonyl)ethoxy-dimethylazanium has a molecular weight of 230.31 g/mol, XLogP of -0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)ethoxy-dimethylazanium is sourced from PubChem (CID 173223937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).