N,N-dimethylformamide;formaldehyde;pyrrolidine-1-sulfinate

C8H17N2O4S- — CID 175304572

IUPACN,N-dimethylformamide;formaldehyde;pyrrolidine-1-sulfinate
SMILESC=O.CN(C)C=O.O=S([O-])N1CCCC1
InChIInChI=1S/C4H9NO2S.C3H7NO.CH2O/c6-8(7)5-3-1-2-4-5;1-4(2)3-5;1-2/h1-4H2,(H,6,7);3H,1-2H3;1H2/p-1
InChIKeyYVVFNZWZXSXFMY-UHFFFAOYSA-M
MW237.30 g/mol
LogP-0.60
Rot. Bonds2

About N,N-dimethylformamide;formaldehyde;pyrrolidine-1-sulfinate

N,N-dimethylformamide;formaldehyde;pyrrolidine-1-sulfinate (PubChem CID 175304572) has the molecular formula C8H17N2O4S- and a molecular weight of 237.30 g/mol. Its IUPAC name is N,N-dimethylformamide;formaldehyde;pyrrolidine-1-sulfinate.

Molecular Properties

Compound NameN,N-dimethylformamide;formaldehyde;pyrrolidine-1-sulfinate
PubChem CID175304572
Molecular FormulaC8H17N2O4S-
Molecular Weight237.30 g/mol
Exact Mass237.09
IUPAC NameN,N-dimethylformamide;formaldehyde;pyrrolidine-1-sulfinate
SMILESC=O.CN(C)C=O.O=S([O-])N1CCCC1
InChIInChI=1S/C4H9NO2S.C3H7NO.CH2O/c6-8(7)5-3-1-2-4-5;1-4(2)3-5;1-2/h1-4H2,(H,6,7);3H,1-2H3;1H2/p-1
InChIKeyYVVFNZWZXSXFMY-UHFFFAOYSA-M
XLogP-0.60
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 5-0.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylformamide;formaldehyde;pyrrolidine-1-sulfinate?
The IUPAC name of N,N-dimethylformamide;formaldehyde;pyrrolidine-1-sulfinate (CID 175304572) is N,N-dimethylformamide;formaldehyde;pyrrolidine-1-sulfinate.
What is the SMILES notation for N,N-dimethylformamide;formaldehyde;pyrrolidine-1-sulfinate?
The canonical SMILES for N,N-dimethylformamide;formaldehyde;pyrrolidine-1-sulfinate is C=O.CN(C)C=O.O=S([O-])N1CCCC1.
What is the InChIKey of N,N-dimethylformamide;formaldehyde;pyrrolidine-1-sulfinate?
The InChIKey is YVVFNZWZXSXFMY-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9NO2S.C3H7NO.CH2O/c6-8(7)5-3-1-2-4-5;1-4(2)3-5;1-2/h1-4H2,(H,6,7);3H,1-2H3;1H2/p-1.
What are the key properties of N,N-dimethylformamide;formaldehyde;pyrrolidine-1-sulfinate?
N,N-dimethylformamide;formaldehyde;pyrrolidine-1-sulfinate has a molecular weight of 237.30 g/mol, XLogP of -0.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;formaldehyde;pyrrolidine-1-sulfinate is sourced from PubChem (CID 175304572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).