CID 88565571

CH5BN2O2S — CID 88565571

IUPAC—
SMILES[B]NS(=O)(=O)NC
InChIInChI=1S/CH5BN2O2S/c1-3-7(5,6)4-2/h3-4H,1H3
InChIKeyHCJXYDNEKIPBDG-UHFFFAOYSA-N
MW119.94 g/mol
LogP-1.88
Rot. Bonds2

About CID 88565571

CID 88565571 (PubChem CID 88565571) has the molecular formula CH5BN2O2S and a molecular weight of 119.94 g/mol.

Molecular Properties

Compound NameCID 88565571
PubChem CID88565571
Molecular FormulaCH5BN2O2S
Molecular Weight119.94 g/mol
Exact Mass120.02
IUPAC Name—
SMILES[B]NS(=O)(=O)NC
InChIInChI=1S/CH5BN2O2S/c1-3-7(5,6)4-2/h3-4H,1H3
InChIKeyHCJXYDNEKIPBDG-UHFFFAOYSA-N
XLogP-1.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.94
LogP ≤ 5-1.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(methylsulfamoyl)hydroxylamine
CID 117126057
N-(methylaminosulfamoyl)methanamine
CID 57302997
N-methylsulfamoyl bromide
CID 170980885
azane;methylsulfamic acid
CID 173138884
N-methylsulfamoyl fluoride;dihydrochloride
CID 168846426
iron(2+);bis(N-methylsulfamate)
CID 175322487
2-(methylsulfamoylamino)propane-1,3-diol
CID 114809585
2-methyl-2-(methylsulfamoylamino)butanenitrile
CID 114807719
ethane;N-(methylsulfamoyl)aniline
CID 91119809
1-cyclopropyl-N-(methylsulfamoyl)methanamine
CID 130639656
2-methyl-N-(methylsulfamoyl)but-3-yn-2-amine
CID 114812571
N'-hydroxy-3-(methylsulfamoylamino)propanimidamide
CID 104978422

Frequently Asked Questions

What is the IUPAC name of CID 88565571?
The IUPAC name of CID 88565571 (CID 88565571) is not available.
What is the SMILES notation for CID 88565571?
The canonical SMILES for CID 88565571 is [B]NS(=O)(=O)NC.
What is the InChIKey of CID 88565571?
The InChIKey is HCJXYDNEKIPBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5BN2O2S/c1-3-7(5,6)4-2/h3-4H,1H3.
What are the key properties of CID 88565571?
CID 88565571 has a molecular weight of 119.94 g/mol, XLogP of -1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88565571 is sourced from PubChem (CID 88565571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).