hydron;bis(1,3-oxazolidine);sulfide

C6H15N2O2S- — CID 70165137

IUPAChydron;bis(1,3-oxazolidine);sulfide
SMILESC1COCN1.C1COCN1.[H+].[S-2]
InChIInChI=1S/2C3H7NO.S/c2*1-2-5-3-4-1;/h2*4H,1-3H2;/q;;-2/p+1
InChIKeyDLMMZGNMHOOZJB-UHFFFAOYSA-O
MW179.26 g/mol
LogP-0.76
Rot. Bonds

About hydron;bis(1,3-oxazolidine);sulfide

hydron;bis(1,3-oxazolidine);sulfide (PubChem CID 70165137) has the molecular formula C6H15N2O2S- and a molecular weight of 179.26 g/mol. Its IUPAC name is hydron;bis(1,3-oxazolidine);sulfide.

Molecular Properties

Compound Namehydron;bis(1,3-oxazolidine);sulfide
PubChem CID70165137
Molecular FormulaC6H15N2O2S-
Molecular Weight179.26 g/mol
Exact Mass179.09
IUPAC Namehydron;bis(1,3-oxazolidine);sulfide
SMILESC1COCN1.C1COCN1.[H+].[S-2]
InChIInChI=1S/2C3H7NO.S/c2*1-2-5-3-4-1;/h2*4H,1-3H2;/q;;-2/p+1
InChIKeyDLMMZGNMHOOZJB-UHFFFAOYSA-O
XLogP-0.76
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of hydron;bis(1,3-oxazolidine);sulfide?
The IUPAC name of hydron;bis(1,3-oxazolidine);sulfide (CID 70165137) is hydron;bis(1,3-oxazolidine);sulfide.
What is the SMILES notation for hydron;bis(1,3-oxazolidine);sulfide?
The canonical SMILES for hydron;bis(1,3-oxazolidine);sulfide is C1COCN1.C1COCN1.[H+].[S-2].
What is the InChIKey of hydron;bis(1,3-oxazolidine);sulfide?
The InChIKey is DLMMZGNMHOOZJB-UHFFFAOYSA-O. The full InChI is InChI=1S/2C3H7NO.S/c2*1-2-5-3-4-1;/h2*4H,1-3H2;/q;;-2/p+1.
What are the key properties of hydron;bis(1,3-oxazolidine);sulfide?
hydron;bis(1,3-oxazolidine);sulfide has a molecular weight of 179.26 g/mol, XLogP of -0.76, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;bis(1,3-oxazolidine);sulfide is sourced from PubChem (CID 70165137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).