bis(methylsulfonyl)azanide;1-methyl-1-propylpyrrolidin-1-ium

C10H24N2O4S2 — CID 159176837

IUPACbis(methylsulfonyl)azanide;1-methyl-1-propylpyrrolidin-1-ium
SMILESCCC[N+]1(C)CCCC1.CS(=O)(=O)[N-]S(C)(=O)=O
InChIInChI=1S/C8H18N.C2H6NO4S2/c1-3-6-9(2)7-4-5-8-9;1-8(4,5)3-9(2,6)7/h3-8H2,1-2H3;1-2H3/q+1;-1
InChIKeyKMJRXAZEKDNIBK-UHFFFAOYSA-N
MW300.45 g/mol
LogP0.92
Rot. Bonds4

About bis(methylsulfonyl)azanide;1-methyl-1-propylpyrrolidin-1-ium

bis(methylsulfonyl)azanide;1-methyl-1-propylpyrrolidin-1-ium (PubChem CID 159176837) has the molecular formula C10H24N2O4S2 and a molecular weight of 300.45 g/mol. Its IUPAC name is bis(methylsulfonyl)azanide;1-methyl-1-propylpyrrolidin-1-ium.

Molecular Properties

Compound Namebis(methylsulfonyl)azanide;1-methyl-1-propylpyrrolidin-1-ium
PubChem CID159176837
Molecular FormulaC10H24N2O4S2
Molecular Weight300.45 g/mol
Exact Mass300.12
IUPAC Namebis(methylsulfonyl)azanide;1-methyl-1-propylpyrrolidin-1-ium
SMILESCCC[N+]1(C)CCCC1.CS(=O)(=O)[N-]S(C)(=O)=O
InChIInChI=1S/C8H18N.C2H6NO4S2/c1-3-6-9(2)7-4-5-8-9;1-8(4,5)3-9(2,6)7/h3-8H2,1-2H3;1-2H3/q+1;-1
InChIKeyKMJRXAZEKDNIBK-UHFFFAOYSA-N
XLogP0.92
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze bis(methylsulfonyl)azanide;1-methyl-1-propylpyrrolidin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(methylsulfonyl)azanide;1-methyl-1-propylpyrrolidin-1-ium?
The IUPAC name of bis(methylsulfonyl)azanide;1-methyl-1-propylpyrrolidin-1-ium (CID 159176837) is bis(methylsulfonyl)azanide;1-methyl-1-propylpyrrolidin-1-ium.
What is the SMILES notation for bis(methylsulfonyl)azanide;1-methyl-1-propylpyrrolidin-1-ium?
The canonical SMILES for bis(methylsulfonyl)azanide;1-methyl-1-propylpyrrolidin-1-ium is CCC[N+]1(C)CCCC1.CS(=O)(=O)[N-]S(C)(=O)=O.
What is the InChIKey of bis(methylsulfonyl)azanide;1-methyl-1-propylpyrrolidin-1-ium?
The InChIKey is KMJRXAZEKDNIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N.C2H6NO4S2/c1-3-6-9(2)7-4-5-8-9;1-8(4,5)3-9(2,6)7/h3-8H2,1-2H3;1-2H3/q+1;-1.
What are the key properties of bis(methylsulfonyl)azanide;1-methyl-1-propylpyrrolidin-1-ium?
bis(methylsulfonyl)azanide;1-methyl-1-propylpyrrolidin-1-ium has a molecular weight of 300.45 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(methylsulfonyl)azanide;1-methyl-1-propylpyrrolidin-1-ium is sourced from PubChem (CID 159176837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).