CID 130408281

C3H9N2O3S- — CID 130408281

IUPAC—
SMILESC1COCN1.NS(=O)[O-]
InChIInChI=1S/C3H7NO.H3NO2S/c1-2-5-3-4-1;1-4(2)3/h4H,1-3H2;1H2,(H,2,3)/p-1
InChIKeyBQHDUYMQTIISIF-UHFFFAOYSA-M
MW153.18 g/mol
LogP-1.70
Rot. Bonds

About CID 130408281

CID 130408281 (PubChem CID 130408281) has the molecular formula C3H9N2O3S- and a molecular weight of 153.18 g/mol.

Molecular Properties

Compound NameCID 130408281
PubChem CID130408281
Molecular FormulaC3H9N2O3S-
Molecular Weight153.18 g/mol
Exact Mass153.03
IUPAC Name—
SMILESC1COCN1.NS(=O)[O-]
InChIInChI=1S/C3H7NO.H3NO2S/c1-2-5-3-4-1;1-4(2)3/h4H,1-3H2;1H2,(H,2,3)/p-1
InChIKeyBQHDUYMQTIISIF-UHFFFAOYSA-M
XLogP-1.70
TPSA87.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 5-1.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(Sulfamoylamino)-1,3-oxazolidine
CID 71604328
Azane;1,3-oxazolidine
CID 19920837
Azonous acid;1,3-oxazolidine
CID 69821385
Hydron;bis(1,3-oxazolidine);sulfide
CID 70165137
1,3-Oxazolidine-2-sulfonamide
CID 130408284
N-methyl-1,3-oxazolidine-3-sulfonamide
CID 154269173
Hydroxylamine;1,3-oxazolidine
CID 157150927
Copper;1,3-oxazolidine;sulfane
CID 157472019
1,3-Oxazolidine;hydrate
CID 160113817
1,3-Oxazolidine;sulfane
CID 161568055
Nitroxyl;1,3-oxazolidine
CID 162173388
Hydron;1,3-oxazolidine
CID 174405150

Frequently Asked Questions

What is the IUPAC name of CID 130408281?
The IUPAC name of CID 130408281 (CID 130408281) is not available.
What is the SMILES notation for CID 130408281?
The canonical SMILES for CID 130408281 is C1COCN1.NS(=O)[O-].
What is the InChIKey of CID 130408281?
The InChIKey is BQHDUYMQTIISIF-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7NO.H3NO2S/c1-2-5-3-4-1;1-4(2)3/h4H,1-3H2;1H2,(H,2,3)/p-1.
What are the key properties of CID 130408281?
CID 130408281 has a molecular weight of 153.18 g/mol, XLogP of -1.70, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 130408281 is sourced from PubChem (CID 130408281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).