CID 58259960

C6H13BN2O2S — CID 58259960

IUPAC—
SMILES[2H]N(C1([B])CC1)S(=O)(=O)NC(C)C
InChIInChI=1S/C6H13BN2O2S/c1-5(2)8-12(10,11)9-6(7)3-4-6/h5,8-9H,3-4H2,1-2H3/i/hD
InChIKeyGLYUISUBFQQYHG-DYCDLGHISA-N
MW189.07 g/mol
LogP-0.52
Rot. Bonds4

About CID 58259960

CID 58259960 (PubChem CID 58259960) has the molecular formula C6H13BN2O2S and a molecular weight of 189.07 g/mol.

Molecular Properties

Compound NameCID 58259960
PubChem CID58259960
Molecular FormulaC6H13BN2O2S
Molecular Weight189.07 g/mol
Exact Mass189.09
IUPAC Name—
SMILES[2H]N(C1([B])CC1)S(=O)(=O)NC(C)C
InChIInChI=1S/C6H13BN2O2S/c1-5(2)8-12(10,11)9-6(7)3-4-6/h5,8-9H,3-4H2,1-2H3/i/hD
InChIKeyGLYUISUBFQQYHG-DYCDLGHISA-N
XLogP-0.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.07
LogP ≤ 5-0.52
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

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(Cyclopropylsulfamoyl)(methyl)amine
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N-(propan-2-ylsulfamoyl)cyclopropanamine
CID 57981830
CID 58259871
CID 58259871
N-(2-methylpropylsulfamoyl)cyclopropanamine
CID 59372563
N-(ethylsulfamoyl)cyclopropanamine
CID 68251613
N-(ethylsulfamoyl)propan-2-amine
CID 84282028
N-methyl-N-(1-methylethyl)sulfamoylamide
CID 86645101
[Ethylsulfamoyl(methyl)amino]cyclopropane
CID 131221563
(Cyclopropylsulfamoyl)dimethylamine
CID 60745821

Frequently Asked Questions

What is the IUPAC name of CID 58259960?
The IUPAC name of CID 58259960 (CID 58259960) is not available.
What is the SMILES notation for CID 58259960?
The canonical SMILES for CID 58259960 is [2H]N(C1([B])CC1)S(=O)(=O)NC(C)C.
What is the InChIKey of CID 58259960?
The InChIKey is GLYUISUBFQQYHG-DYCDLGHISA-N. The full InChI is InChI=1S/C6H13BN2O2S/c1-5(2)8-12(10,11)9-6(7)3-4-6/h5,8-9H,3-4H2,1-2H3/i/hD.
What are the key properties of CID 58259960?
CID 58259960 has a molecular weight of 189.07 g/mol, XLogP of -0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58259960 is sourced from PubChem (CID 58259960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).