1,2-dimethyl-1-propylpyrrolidin-1-ium;fluorosulfonyl(methylsulfonyl)azanide

C10H23FN2O4S2 — CID 159619578

IUPAC1,2-dimethyl-1-propylpyrrolidin-1-ium;fluorosulfonyl(methylsulfonyl)azanide
SMILESCCC[N+]1(C)CCCC1C.CS(=O)(=O)[N-]S(=O)(=O)F
InChIInChI=1S/C9H20N.CH3FNO4S2/c1-4-7-10(3)8-5-6-9(10)2;1-8(4,5)3-9(2,6)7/h9H,4-8H2,1-3H3;1H3/q+1;-1
InChIKeyMNSJWAUJSVOVIH-UHFFFAOYSA-N
MW318.44 g/mol
LogP1.56
Rot. Bonds4

About 1,2-dimethyl-1-propylpyrrolidin-1-ium;fluorosulfonyl(methylsulfonyl)azanide

1,2-dimethyl-1-propylpyrrolidin-1-ium;fluorosulfonyl(methylsulfonyl)azanide (PubChem CID 159619578) has the molecular formula C10H23FN2O4S2 and a molecular weight of 318.44 g/mol. Its IUPAC name is 1,2-dimethyl-1-propylpyrrolidin-1-ium;fluorosulfonyl(methylsulfonyl)azanide.

Molecular Properties

Compound Name1,2-dimethyl-1-propylpyrrolidin-1-ium;fluorosulfonyl(methylsulfonyl)azanide
PubChem CID159619578
Molecular FormulaC10H23FN2O4S2
Molecular Weight318.44 g/mol
Exact Mass318.11
IUPAC Name1,2-dimethyl-1-propylpyrrolidin-1-ium;fluorosulfonyl(methylsulfonyl)azanide
SMILESCCC[N+]1(C)CCCC1C.CS(=O)(=O)[N-]S(=O)(=O)F
InChIInChI=1S/C9H20N.CH3FNO4S2/c1-4-7-10(3)8-5-6-9(10)2;1-8(4,5)3-9(2,6)7/h9H,4-8H2,1-3H3;1H3/q+1;-1
InChIKeyMNSJWAUJSVOVIH-UHFFFAOYSA-N
XLogP1.56
TPSA82.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 51.56
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 1,2-dimethyl-1-propylpyrrolidin-1-ium;fluorosulfonyl(methylsulfonyl)azanide?
The IUPAC name of 1,2-dimethyl-1-propylpyrrolidin-1-ium;fluorosulfonyl(methylsulfonyl)azanide (CID 159619578) is 1,2-dimethyl-1-propylpyrrolidin-1-ium;fluorosulfonyl(methylsulfonyl)azanide.
What is the SMILES notation for 1,2-dimethyl-1-propylpyrrolidin-1-ium;fluorosulfonyl(methylsulfonyl)azanide?
The canonical SMILES for 1,2-dimethyl-1-propylpyrrolidin-1-ium;fluorosulfonyl(methylsulfonyl)azanide is CCC[N+]1(C)CCCC1C.CS(=O)(=O)[N-]S(=O)(=O)F.
What is the InChIKey of 1,2-dimethyl-1-propylpyrrolidin-1-ium;fluorosulfonyl(methylsulfonyl)azanide?
The InChIKey is MNSJWAUJSVOVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N.CH3FNO4S2/c1-4-7-10(3)8-5-6-9(10)2;1-8(4,5)3-9(2,6)7/h9H,4-8H2,1-3H3;1H3/q+1;-1.
What are the key properties of 1,2-dimethyl-1-propylpyrrolidin-1-ium;fluorosulfonyl(methylsulfonyl)azanide?
1,2-dimethyl-1-propylpyrrolidin-1-ium;fluorosulfonyl(methylsulfonyl)azanide has a molecular weight of 318.44 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-1-propylpyrrolidin-1-ium;fluorosulfonyl(methylsulfonyl)azanide is sourced from PubChem (CID 159619578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).