trimethyl-[(propan-2-ylsulfonylamino)methyl]azanium

C7H19N2O2S+ — CID 89381514

IUPACtrimethyl-[(propan-2-ylsulfonylamino)methyl]azanium
SMILESCC(C)S(=O)(=O)NC[N+](C)(C)C
InChIInChI=1S/C7H19N2O2S/c1-7(2)12(10,11)8-6-9(3,4)5/h7-8H,6H2,1-5H3/q+1
InChIKeyNVNALYAJFQWVFK-UHFFFAOYSA-N
MW195.31 g/mol
LogP-0.02
Rot. Bonds4

About trimethyl-[(propan-2-ylsulfonylamino)methyl]azanium

trimethyl-[(propan-2-ylsulfonylamino)methyl]azanium (PubChem CID 89381514) has the molecular formula C7H19N2O2S+ and a molecular weight of 195.31 g/mol. Its IUPAC name is trimethyl-[(propan-2-ylsulfonylamino)methyl]azanium.

Molecular Properties

Compound Nametrimethyl-[(propan-2-ylsulfonylamino)methyl]azanium
PubChem CID89381514
Molecular FormulaC7H19N2O2S+
Molecular Weight195.31 g/mol
Exact Mass195.12
IUPAC Nametrimethyl-[(propan-2-ylsulfonylamino)methyl]azanium
SMILESCC(C)S(=O)(=O)NC[N+](C)(C)C
InChIInChI=1S/C7H19N2O2S/c1-7(2)12(10,11)8-6-9(3,4)5/h7-8H,6H2,1-5H3/q+1
InChIKeyNVNALYAJFQWVFK-UHFFFAOYSA-N
XLogP-0.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(propan-2-ylsulfonylamino)methyl]azanium?
The IUPAC name of trimethyl-[(propan-2-ylsulfonylamino)methyl]azanium (CID 89381514) is trimethyl-[(propan-2-ylsulfonylamino)methyl]azanium.
What is the SMILES notation for trimethyl-[(propan-2-ylsulfonylamino)methyl]azanium?
The canonical SMILES for trimethyl-[(propan-2-ylsulfonylamino)methyl]azanium is CC(C)S(=O)(=O)NC[N+](C)(C)C.
What is the InChIKey of trimethyl-[(propan-2-ylsulfonylamino)methyl]azanium?
The InChIKey is NVNALYAJFQWVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19N2O2S/c1-7(2)12(10,11)8-6-9(3,4)5/h7-8H,6H2,1-5H3/q+1.
What are the key properties of trimethyl-[(propan-2-ylsulfonylamino)methyl]azanium?
trimethyl-[(propan-2-ylsulfonylamino)methyl]azanium has a molecular weight of 195.31 g/mol, XLogP of -0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(propan-2-ylsulfonylamino)methyl]azanium is sourced from PubChem (CID 89381514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).