trimethyl(2-sulfamoyloxyethyl)azanium

C5H15N2O3S+ — CID 87574520

IUPACtrimethyl(2-sulfamoyloxyethyl)azanium
SMILESC[N+](C)(C)CCOS(N)(=O)=O
InChIInChI=1S/C5H15N2O3S/c1-7(2,3)4-5-10-11(6,8)9/h4-5H2,1-3H3,(H2,6,8,9)/q+1
InChIKeyZDGCXMIYEMLASU-UHFFFAOYSA-N
MW183.25 g/mol
LogP-1.09
Rot. Bonds4

About trimethyl(2-sulfamoyloxyethyl)azanium

trimethyl(2-sulfamoyloxyethyl)azanium (PubChem CID 87574520) has the molecular formula C5H15N2O3S+ and a molecular weight of 183.25 g/mol. Its IUPAC name is trimethyl(2-sulfamoyloxyethyl)azanium.

Molecular Properties

Compound Nametrimethyl(2-sulfamoyloxyethyl)azanium
PubChem CID87574520
Molecular FormulaC5H15N2O3S+
Molecular Weight183.25 g/mol
Exact Mass183.08
IUPAC Nametrimethyl(2-sulfamoyloxyethyl)azanium
SMILESC[N+](C)(C)CCOS(N)(=O)=O
InChIInChI=1S/C5H15N2O3S/c1-7(2,3)4-5-10-11(6,8)9/h4-5H2,1-3H3,(H2,6,8,9)/q+1
InChIKeyZDGCXMIYEMLASU-UHFFFAOYSA-N
XLogP-1.09
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl(2-sulfamoyloxyethyl)azanium?
The IUPAC name of trimethyl(2-sulfamoyloxyethyl)azanium (CID 87574520) is trimethyl(2-sulfamoyloxyethyl)azanium.
What is the SMILES notation for trimethyl(2-sulfamoyloxyethyl)azanium?
The canonical SMILES for trimethyl(2-sulfamoyloxyethyl)azanium is C[N+](C)(C)CCOS(N)(=O)=O.
What is the InChIKey of trimethyl(2-sulfamoyloxyethyl)azanium?
The InChIKey is ZDGCXMIYEMLASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15N2O3S/c1-7(2,3)4-5-10-11(6,8)9/h4-5H2,1-3H3,(H2,6,8,9)/q+1.
What are the key properties of trimethyl(2-sulfamoyloxyethyl)azanium?
trimethyl(2-sulfamoyloxyethyl)azanium has a molecular weight of 183.25 g/mol, XLogP of -1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(2-sulfamoyloxyethyl)azanium is sourced from PubChem (CID 87574520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).