bis(methylsulfonyl)azanide;1-butyl-1-methylpyrrolidin-1-ium

C11H26N2O4S2 — CID 139175739

IUPACbis(methylsulfonyl)azanide;1-butyl-1-methylpyrrolidin-1-ium
SMILESCCCC[N+]1(C)CCCC1.CS(=O)(=O)[N-]S(C)(=O)=O
InChIInChI=1S/C9H20N.C2H6NO4S2/c1-3-4-7-10(2)8-5-6-9-10;1-8(4,5)3-9(2,6)7/h3-9H2,1-2H3;1-2H3/q+1;-1
InChIKeyOMTBETIPJMSBQV-UHFFFAOYSA-N
MW314.47 g/mol
LogP1.31
Rot. Bonds5

About bis(methylsulfonyl)azanide;1-butyl-1-methylpyrrolidin-1-ium

bis(methylsulfonyl)azanide;1-butyl-1-methylpyrrolidin-1-ium (PubChem CID 139175739) has the molecular formula C11H26N2O4S2 and a molecular weight of 314.47 g/mol. Its IUPAC name is bis(methylsulfonyl)azanide;1-butyl-1-methylpyrrolidin-1-ium.

Molecular Properties

Compound Namebis(methylsulfonyl)azanide;1-butyl-1-methylpyrrolidin-1-ium
PubChem CID139175739
Molecular FormulaC11H26N2O4S2
Molecular Weight314.47 g/mol
Exact Mass314.13
IUPAC Namebis(methylsulfonyl)azanide;1-butyl-1-methylpyrrolidin-1-ium
SMILESCCCC[N+]1(C)CCCC1.CS(=O)(=O)[N-]S(C)(=O)=O
InChIInChI=1S/C9H20N.C2H6NO4S2/c1-3-4-7-10(2)8-5-6-9-10;1-8(4,5)3-9(2,6)7/h3-9H2,1-2H3;1-2H3/q+1;-1
InChIKeyOMTBETIPJMSBQV-UHFFFAOYSA-N
XLogP1.31
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 51.31
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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Related Compounds

1-Butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide
CID 11048104
1-Methyl-1-propylpyrrolidinium Bis(trifluoromethanesulfonyl)imide
CID 25171607
1-Ethyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide
CID 53316417
N-methylsulfonyl-N-(5-pyrrolidin-1-ylpent-3-yn-2-yl)methanesulfonamide
CID 14025456
N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)methanesulfonamide
CID 14025453
N-methylsulfonyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)methanesulfonamide
CID 14025455
1-Butyl-1-methylpyrrolidin-1-ium methanesulfonate
CID 25047750
N-ethyl-N-propylpyrrolidinium bis(trifluoromethane sulfonyl)imide
CID 129855162
N-n-butyl-N-ethylpyrrolidinium bis(trifluoromethylsulfonyl)imide
CID 134716425
N-methyl-N-propyl-2-pyrrolidin-1-ylethanesulfonamide
CID 99836720
Bis(trifluoromethylsulfonyl)azanide;1-(3,3-difluorobutyl)-1-methylpyrrolidin-1-ium
CID 140088278
Bis(trifluoromethylsulfonyl)azanide;1,1-dipropylpyrrolidin-1-ium
CID 140880035

Frequently Asked Questions

What is the IUPAC name of bis(methylsulfonyl)azanide;1-butyl-1-methylpyrrolidin-1-ium?
The IUPAC name of bis(methylsulfonyl)azanide;1-butyl-1-methylpyrrolidin-1-ium (CID 139175739) is bis(methylsulfonyl)azanide;1-butyl-1-methylpyrrolidin-1-ium.
What is the SMILES notation for bis(methylsulfonyl)azanide;1-butyl-1-methylpyrrolidin-1-ium?
The canonical SMILES for bis(methylsulfonyl)azanide;1-butyl-1-methylpyrrolidin-1-ium is CCCC[N+]1(C)CCCC1.CS(=O)(=O)[N-]S(C)(=O)=O.
What is the InChIKey of bis(methylsulfonyl)azanide;1-butyl-1-methylpyrrolidin-1-ium?
The InChIKey is OMTBETIPJMSBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N.C2H6NO4S2/c1-3-4-7-10(2)8-5-6-9-10;1-8(4,5)3-9(2,6)7/h3-9H2,1-2H3;1-2H3/q+1;-1.
What are the key properties of bis(methylsulfonyl)azanide;1-butyl-1-methylpyrrolidin-1-ium?
bis(methylsulfonyl)azanide;1-butyl-1-methylpyrrolidin-1-ium has a molecular weight of 314.47 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(methylsulfonyl)azanide;1-butyl-1-methylpyrrolidin-1-ium is sourced from PubChem (CID 139175739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).