CID 59175956

C8H16N2O2S — CID 59175956

IUPAC—
SMILES[CH]NS(=O)(=O)CCN(CC)C1CC1
InChIInChI=1S/C8H16N2O2S/c1-3-10(8-4-5-8)6-7-13(11,12)9-2/h2,8-9H,3-7H2,1H3
InChIKeyGBSDZGWNYXQSFE-UHFFFAOYSA-N
MW204.29 g/mol
LogP0.06
Rot. Bonds6

About CID 59175956

CID 59175956 (PubChem CID 59175956) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol.

Molecular Properties

Compound NameCID 59175956
PubChem CID59175956
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC Name—
SMILES[CH]NS(=O)(=O)CCN(CC)C1CC1
InChIInChI=1S/C8H16N2O2S/c1-3-10(8-4-5-8)6-7-13(11,12)9-2/h2,8-9H,3-7H2,1H3
InChIKeyGBSDZGWNYXQSFE-UHFFFAOYSA-N
XLogP0.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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 59175956?
The IUPAC name of CID 59175956 (CID 59175956) is not available.
What is the SMILES notation for CID 59175956?
The canonical SMILES for CID 59175956 is [CH]NS(=O)(=O)CCN(CC)C1CC1.
What is the InChIKey of CID 59175956?
The InChIKey is GBSDZGWNYXQSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-3-10(8-4-5-8)6-7-13(11,12)9-2/h2,8-9H,3-7H2,1H3.
What are the key properties of CID 59175956?
CID 59175956 has a molecular weight of 204.29 g/mol, XLogP of 0.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59175956 is sourced from PubChem (CID 59175956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).