CID 59175965

C8H16N2O2S — CID 59175965

IUPAC—
SMILES[CH]NS(=O)(=O)CCN1CCCCC1
InChIInChI=1S/C8H16N2O2S/c1-9-13(11,12)8-7-10-5-3-2-4-6-10/h1,9H,2-8H2
InChIKeyCEFXKKIVCJSMBZ-UHFFFAOYSA-N
MW204.29 g/mol
LogP0.06
Rot. Bonds4

About CID 59175965

CID 59175965 (PubChem CID 59175965) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol.

Molecular Properties

Compound NameCID 59175965
PubChem CID59175965
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC Name—
SMILES[CH]NS(=O)(=O)CCN1CCCCC1
InChIInChI=1S/C8H16N2O2S/c1-9-13(11,12)8-7-10-5-3-2-4-6-10/h1,9H,2-8H2
InChIKeyCEFXKKIVCJSMBZ-UHFFFAOYSA-N
XLogP0.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59175965?
The IUPAC name of CID 59175965 (CID 59175965) is not available.
What is the SMILES notation for CID 59175965?
The canonical SMILES for CID 59175965 is [CH]NS(=O)(=O)CCN1CCCCC1.
What is the InChIKey of CID 59175965?
The InChIKey is CEFXKKIVCJSMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-9-13(11,12)8-7-10-5-3-2-4-6-10/h1,9H,2-8H2.
What are the key properties of CID 59175965?
CID 59175965 has a molecular weight of 204.29 g/mol, XLogP of 0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59175965 is sourced from PubChem (CID 59175965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).