bis(methylsulfonyl)azanide;1,1-dimethylpyrrolidin-1-ium

C8H20N2O4S2 — CID 139175185

IUPACbis(methylsulfonyl)azanide;1,1-dimethylpyrrolidin-1-ium
SMILESCS(=O)(=O)[N-]S(C)(=O)=O.C[N+]1(C)CCCC1
InChIInChI=1S/C6H14N.C2H6NO4S2/c1-7(2)5-3-4-6-7;1-8(4,5)3-9(2,6)7/h3-6H2,1-2H3;1-2H3/q+1;-1
InChIKeyWEPBVHHXCUOKFL-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.14
Rot. Bonds2

About bis(methylsulfonyl)azanide;1,1-dimethylpyrrolidin-1-ium

bis(methylsulfonyl)azanide;1,1-dimethylpyrrolidin-1-ium (PubChem CID 139175185) has the molecular formula C8H20N2O4S2 and a molecular weight of 272.39 g/mol. Its IUPAC name is bis(methylsulfonyl)azanide;1,1-dimethylpyrrolidin-1-ium.

Molecular Properties

Compound Namebis(methylsulfonyl)azanide;1,1-dimethylpyrrolidin-1-ium
PubChem CID139175185
Molecular FormulaC8H20N2O4S2
Molecular Weight272.39 g/mol
Exact Mass272.09
IUPAC Namebis(methylsulfonyl)azanide;1,1-dimethylpyrrolidin-1-ium
SMILESCS(=O)(=O)[N-]S(C)(=O)=O.C[N+]1(C)CCCC1
InChIInChI=1S/C6H14N.C2H6NO4S2/c1-7(2)5-3-4-6-7;1-8(4,5)3-9(2,6)7/h3-6H2,1-2H3;1-2H3/q+1;-1
InChIKeyWEPBVHHXCUOKFL-UHFFFAOYSA-N
XLogP0.14
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 bis(methylsulfonyl)azanide;1,1-dimethylpyrrolidin-1-ium?
The IUPAC name of bis(methylsulfonyl)azanide;1,1-dimethylpyrrolidin-1-ium (CID 139175185) is bis(methylsulfonyl)azanide;1,1-dimethylpyrrolidin-1-ium.
What is the SMILES notation for bis(methylsulfonyl)azanide;1,1-dimethylpyrrolidin-1-ium?
The canonical SMILES for bis(methylsulfonyl)azanide;1,1-dimethylpyrrolidin-1-ium is CS(=O)(=O)[N-]S(C)(=O)=O.C[N+]1(C)CCCC1.
What is the InChIKey of bis(methylsulfonyl)azanide;1,1-dimethylpyrrolidin-1-ium?
The InChIKey is WEPBVHHXCUOKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N.C2H6NO4S2/c1-7(2)5-3-4-6-7;1-8(4,5)3-9(2,6)7/h3-6H2,1-2H3;1-2H3/q+1;-1.
What are the key properties of bis(methylsulfonyl)azanide;1,1-dimethylpyrrolidin-1-ium?
bis(methylsulfonyl)azanide;1,1-dimethylpyrrolidin-1-ium has a molecular weight of 272.39 g/mol, XLogP of 0.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(methylsulfonyl)azanide;1,1-dimethylpyrrolidin-1-ium is sourced from PubChem (CID 139175185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).