1-carbamoylcyclobutane-1-sulfinate

C5H8NO3S- — CID 175151573

IUPAC1-carbamoylcyclobutane-1-sulfinate
SMILESNC(=O)C1(S(=O)[O-])CCC1
InChIInChI=1S/C5H9NO3S/c6-4(7)5(10(8)9)2-1-3-5/h1-3H2,(H2,6,7)(H,8,9)/p-1
InChIKeyLFXGIPFMZPOPEF-UHFFFAOYSA-M
MW162.19 g/mol
LogP-0.73
Rot. Bonds2

About 1-carbamoylcyclobutane-1-sulfinate

1-carbamoylcyclobutane-1-sulfinate (PubChem CID 175151573) has the molecular formula C5H8NO3S- and a molecular weight of 162.19 g/mol. Its IUPAC name is 1-carbamoylcyclobutane-1-sulfinate.

Molecular Properties

Compound Name1-carbamoylcyclobutane-1-sulfinate
PubChem CID175151573
Molecular FormulaC5H8NO3S-
Molecular Weight162.19 g/mol
Exact Mass162.02
IUPAC Name1-carbamoylcyclobutane-1-sulfinate
SMILESNC(=O)C1(S(=O)[O-])CCC1
InChIInChI=1S/C5H9NO3S/c6-4(7)5(10(8)9)2-1-3-5/h1-3H2,(H2,6,7)(H,8,9)/p-1
InChIKeyLFXGIPFMZPOPEF-UHFFFAOYSA-M
XLogP-0.73
TPSA83.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-carbamoylcyclobutane-1-sulfinate?
The IUPAC name of 1-carbamoylcyclobutane-1-sulfinate (CID 175151573) is 1-carbamoylcyclobutane-1-sulfinate.
What is the SMILES notation for 1-carbamoylcyclobutane-1-sulfinate?
The canonical SMILES for 1-carbamoylcyclobutane-1-sulfinate is NC(=O)C1(S(=O)[O-])CCC1.
What is the InChIKey of 1-carbamoylcyclobutane-1-sulfinate?
The InChIKey is LFXGIPFMZPOPEF-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H9NO3S/c6-4(7)5(10(8)9)2-1-3-5/h1-3H2,(H2,6,7)(H,8,9)/p-1.
What are the key properties of 1-carbamoylcyclobutane-1-sulfinate?
1-carbamoylcyclobutane-1-sulfinate has a molecular weight of 162.19 g/mol, XLogP of -0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamoylcyclobutane-1-sulfinate is sourced from PubChem (CID 175151573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).