dimethyl-(2-methylpropyl)-(2-sulfoethyl)azanium

C8H20NO3S+ — CID 140913658

IUPACdimethyl-(2-methylpropyl)-(2-sulfoethyl)azanium
SMILESCC(C)C[N+](C)(C)CCS(=O)(=O)O
InChIInChI=1S/C8H19NO3S/c1-8(2)7-9(3,4)5-6-13(10,11)12/h8H,5-7H2,1-4H3/p+1
InChIKeyIVXQDNSXNJQEJB-UHFFFAOYSA-O
MW210.32 g/mol
LogP0.61
Rot. Bonds5

About dimethyl-(2-methylpropyl)-(2-sulfoethyl)azanium

dimethyl-(2-methylpropyl)-(2-sulfoethyl)azanium (PubChem CID 140913658) has the molecular formula C8H20NO3S+ and a molecular weight of 210.32 g/mol. Its IUPAC name is dimethyl-(2-methylpropyl)-(2-sulfoethyl)azanium.

Molecular Properties

Compound Namedimethyl-(2-methylpropyl)-(2-sulfoethyl)azanium
PubChem CID140913658
Molecular FormulaC8H20NO3S+
Molecular Weight210.32 g/mol
Exact Mass210.12
IUPAC Namedimethyl-(2-methylpropyl)-(2-sulfoethyl)azanium
SMILESCC(C)C[N+](C)(C)CCS(=O)(=O)O
InChIInChI=1S/C8H19NO3S/c1-8(2)7-9(3,4)5-6-13(10,11)12/h8H,5-7H2,1-4H3/p+1
InChIKeyIVXQDNSXNJQEJB-UHFFFAOYSA-O
XLogP0.61
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

6-[dimethyl(2-methylpropyl)azaniumyl]hexyl-dimethyl-(2-methylpropyl)azanium
CID 24833342
bis(aminomethyl)-methyl-(2-sulfoethyl)azanium
CID 89432733
dimethyl-(2-methylpropyl)-(2-phosphonoethyl)azanium
CID 153319099
dimethyl-propan-2-yl-(3-sulfopropyl)azanium
CID 163820241
lithium;hydride;3-methylbutane-1-sulfonic acid
CID 174653708
12-[dimethyl(4-sulfobutyl)azaniumyl]dodecyl-dimethyl-(4-sulfobutyl)azanium
CID 10649858
(3-but-3-en-2-yloxy-2-hydroxypropyl)-dimethyl-(3-sulfopropyl)azanium
CID 174715685
ethyl-dimethyl-(3-sulfopropyl)azanium hydroxide
CID 22486480
methyl-bis(prop-2-ynyl)-(2-sulfoethyl)azanium
CID 146629606
5-[dimethyl(2-sulfoethyl)azaniumyl]-2-methylpent-2-enoate
CID 174230057
bis(3-aminopropyl)-methyl-(3-sulfopropyl)azanium
CID 53495195
2-aminoethyl-dimethyl-(sulfomethyl)azanium
CID 89432755

Frequently Asked Questions

What is the IUPAC name of dimethyl-(2-methylpropyl)-(2-sulfoethyl)azanium?
The IUPAC name of dimethyl-(2-methylpropyl)-(2-sulfoethyl)azanium (CID 140913658) is dimethyl-(2-methylpropyl)-(2-sulfoethyl)azanium.
What is the SMILES notation for dimethyl-(2-methylpropyl)-(2-sulfoethyl)azanium?
The canonical SMILES for dimethyl-(2-methylpropyl)-(2-sulfoethyl)azanium is CC(C)C[N+](C)(C)CCS(=O)(=O)O.
What is the InChIKey of dimethyl-(2-methylpropyl)-(2-sulfoethyl)azanium?
The InChIKey is IVXQDNSXNJQEJB-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H19NO3S/c1-8(2)7-9(3,4)5-6-13(10,11)12/h8H,5-7H2,1-4H3/p+1.
What are the key properties of dimethyl-(2-methylpropyl)-(2-sulfoethyl)azanium?
dimethyl-(2-methylpropyl)-(2-sulfoethyl)azanium has a molecular weight of 210.32 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-(2-methylpropyl)-(2-sulfoethyl)azanium is sourced from PubChem (CID 140913658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).