[(5-carbamoyl-1,3-oxazol-2-yl)amino]methanesulfinate

C5H6N3O4S- — CID 174461737

IUPAC[(5-carbamoyl-1,3-oxazol-2-yl)amino]methanesulfinate
SMILESNC(=O)c1cnc(NCS(=O)[O-])o1
InChIInChI=1S/C5H7N3O4S/c6-4(9)3-1-7-5(12-3)8-2-13(10)11/h1H,2H2,(H2,6,9)(H,7,8)(H,10,11)/p-1
InChIKeyYPENRQIKFAPTOP-UHFFFAOYSA-M
MW204.19 g/mol
LogP-0.98
Rot. Bonds4

About [(5-carbamoyl-1,3-oxazol-2-yl)amino]methanesulfinate

[(5-carbamoyl-1,3-oxazol-2-yl)amino]methanesulfinate (PubChem CID 174461737) has the molecular formula C5H6N3O4S- and a molecular weight of 204.19 g/mol. Its IUPAC name is [(5-carbamoyl-1,3-oxazol-2-yl)amino]methanesulfinate.

Molecular Properties

Compound Name[(5-carbamoyl-1,3-oxazol-2-yl)amino]methanesulfinate
PubChem CID174461737
Molecular FormulaC5H6N3O4S-
Molecular Weight204.19 g/mol
Exact Mass204.01
IUPAC Name[(5-carbamoyl-1,3-oxazol-2-yl)amino]methanesulfinate
SMILESNC(=O)c1cnc(NCS(=O)[O-])o1
InChIInChI=1S/C5H7N3O4S/c6-4(9)3-1-7-5(12-3)8-2-13(10)11/h1H,2H2,(H2,6,9)(H,7,8)(H,10,11)/p-1
InChIKeyYPENRQIKFAPTOP-UHFFFAOYSA-M
XLogP-0.98
TPSA121.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(5-carbamoyl-1,3-oxazol-2-yl)amino]methanesulfinate?
The IUPAC name of [(5-carbamoyl-1,3-oxazol-2-yl)amino]methanesulfinate (CID 174461737) is [(5-carbamoyl-1,3-oxazol-2-yl)amino]methanesulfinate.
What is the SMILES notation for [(5-carbamoyl-1,3-oxazol-2-yl)amino]methanesulfinate?
The canonical SMILES for [(5-carbamoyl-1,3-oxazol-2-yl)amino]methanesulfinate is NC(=O)c1cnc(NCS(=O)[O-])o1.
What is the InChIKey of [(5-carbamoyl-1,3-oxazol-2-yl)amino]methanesulfinate?
The InChIKey is YPENRQIKFAPTOP-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H7N3O4S/c6-4(9)3-1-7-5(12-3)8-2-13(10)11/h1H,2H2,(H2,6,9)(H,7,8)(H,10,11)/p-1.
What are the key properties of [(5-carbamoyl-1,3-oxazol-2-yl)amino]methanesulfinate?
[(5-carbamoyl-1,3-oxazol-2-yl)amino]methanesulfinate has a molecular weight of 204.19 g/mol, XLogP of -0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-carbamoyl-1,3-oxazol-2-yl)amino]methanesulfinate is sourced from PubChem (CID 174461737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).