CID 59303771

C9H16N2O3S — CID 59303771

IUPAC—
SMILES[CH]C(=O)C1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C9H16N2O3S/c1-8(12)9-4-6-11(7-5-9)15(13,14)10(2)3/h1,9H,4-7H2,2-3H3
InChIKeyJSXXRMXZFBGEJW-UHFFFAOYSA-N
MW232.30 g/mol
LogP-0.22
Rot. Bonds3

About CID 59303771

CID 59303771 (PubChem CID 59303771) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol.

Molecular Properties

Compound NameCID 59303771
PubChem CID59303771
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC Name—
SMILES[CH]C(=O)C1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C9H16N2O3S/c1-8(12)9-4-6-11(7-5-9)15(13,14)10(2)3/h1,9H,4-7H2,2-3H3
InChIKeyJSXXRMXZFBGEJW-UHFFFAOYSA-N
XLogP-0.22
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 59303771?
The IUPAC name of CID 59303771 (CID 59303771) is not available.
What is the SMILES notation for CID 59303771?
The canonical SMILES for CID 59303771 is [CH]C(=O)C1CCN(S(=O)(=O)N(C)C)CC1.
What is the InChIKey of CID 59303771?
The InChIKey is JSXXRMXZFBGEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-8(12)9-4-6-11(7-5-9)15(13,14)10(2)3/h1,9H,4-7H2,2-3H3.
What are the key properties of CID 59303771?
CID 59303771 has a molecular weight of 232.30 g/mol, XLogP of -0.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59303771 is sourced from PubChem (CID 59303771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).