CID 58259871

C7H15BN2O2S — CID 58259871

IUPAC—
SMILES[2H]N(C1([B])CCC1)S(=O)(=O)NC(C)C
InChIInChI=1S/C7H15BN2O2S/c1-6(2)9-13(11,12)10-7(8)4-3-5-7/h6,9-10H,3-5H2,1-2H3/i/hD
InChIKeyKJOWBTUIYVPKMO-DYCDLGHISA-N
MW203.09 g/mol
LogP-0.13
Rot. Bonds4

About CID 58259871

CID 58259871 (PubChem CID 58259871) has the molecular formula C7H15BN2O2S and a molecular weight of 203.09 g/mol.

Molecular Properties

Compound NameCID 58259871
PubChem CID58259871
Molecular FormulaC7H15BN2O2S
Molecular Weight203.09 g/mol
Exact Mass203.10
IUPAC Name—
SMILES[2H]N(C1([B])CCC1)S(=O)(=O)NC(C)C
InChIInChI=1S/C7H15BN2O2S/c1-6(2)9-13(11,12)10-7(8)4-3-5-7/h6,9-10H,3-5H2,1-2H3/i/hD
InChIKeyKJOWBTUIYVPKMO-DYCDLGHISA-N
XLogP-0.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.09
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 58259871?
The IUPAC name of CID 58259871 (CID 58259871) is not available.
What is the SMILES notation for CID 58259871?
The canonical SMILES for CID 58259871 is [2H]N(C1([B])CCC1)S(=O)(=O)NC(C)C.
What is the InChIKey of CID 58259871?
The InChIKey is KJOWBTUIYVPKMO-DYCDLGHISA-N. The full InChI is InChI=1S/C7H15BN2O2S/c1-6(2)9-13(11,12)10-7(8)4-3-5-7/h6,9-10H,3-5H2,1-2H3/i/hD.
What are the key properties of CID 58259871?
CID 58259871 has a molecular weight of 203.09 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58259871 is sourced from PubChem (CID 58259871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).