CID 59175934

C7H12N2O2S — CID 59175934

IUPAC—
SMILES[CH]NS(=O)(=O)CCN1CC=CC1
InChIInChI=1S/C7H12N2O2S/c1-8-12(10,11)7-6-9-4-2-3-5-9/h1-3,8H,4-7H2
InChIKeyHSKXPZCHRMXNHB-UHFFFAOYSA-N
MW188.25 g/mol
LogP-0.55
Rot. Bonds4

About CID 59175934

CID 59175934 (PubChem CID 59175934) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol.

Molecular Properties

Compound NameCID 59175934
PubChem CID59175934
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Name—
SMILES[CH]NS(=O)(=O)CCN1CC=CC1
InChIInChI=1S/C7H12N2O2S/c1-8-12(10,11)7-6-9-4-2-3-5-9/h1-3,8H,4-7H2
InChIKeyHSKXPZCHRMXNHB-UHFFFAOYSA-N
XLogP-0.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59175934?
The IUPAC name of CID 59175934 (CID 59175934) is not available.
What is the SMILES notation for CID 59175934?
The canonical SMILES for CID 59175934 is [CH]NS(=O)(=O)CCN1CC=CC1.
What is the InChIKey of CID 59175934?
The InChIKey is HSKXPZCHRMXNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S/c1-8-12(10,11)7-6-9-4-2-3-5-9/h1-3,8H,4-7H2.
What are the key properties of CID 59175934?
CID 59175934 has a molecular weight of 188.25 g/mol, XLogP of -0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59175934 is sourced from PubChem (CID 59175934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).