CID 59175954

C7H14N2O3S — CID 59175954

IUPAC—
SMILES[CH]NS(=O)(=O)CCN1CCC(O)C1
InChIInChI=1S/C7H14N2O3S/c1-8-13(11,12)5-4-9-3-2-7(10)6-9/h1,7-8,10H,2-6H2
InChIKeyRFJJDMLMXNTKSO-UHFFFAOYSA-N
MW206.27 g/mol
LogP-1.36
Rot. Bonds4

About CID 59175954

CID 59175954 (PubChem CID 59175954) has the molecular formula C7H14N2O3S and a molecular weight of 206.27 g/mol.

Molecular Properties

Compound NameCID 59175954
PubChem CID59175954
Molecular FormulaC7H14N2O3S
Molecular Weight206.27 g/mol
Exact Mass206.07
IUPAC Name—
SMILES[CH]NS(=O)(=O)CCN1CCC(O)C1
InChIInChI=1S/C7H14N2O3S/c1-8-13(11,12)5-4-9-3-2-7(10)6-9/h1,7-8,10H,2-6H2
InChIKeyRFJJDMLMXNTKSO-UHFFFAOYSA-N
XLogP-1.36
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-1.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 59175954?
The IUPAC name of CID 59175954 (CID 59175954) is not available.
What is the SMILES notation for CID 59175954?
The canonical SMILES for CID 59175954 is [CH]NS(=O)(=O)CCN1CCC(O)C1.
What is the InChIKey of CID 59175954?
The InChIKey is RFJJDMLMXNTKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3S/c1-8-13(11,12)5-4-9-3-2-7(10)6-9/h1,7-8,10H,2-6H2.
What are the key properties of CID 59175954?
CID 59175954 has a molecular weight of 206.27 g/mol, XLogP of -1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59175954 is sourced from PubChem (CID 59175954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).