CID 59819310

C12H20NO2S — CID 59819310

IUPAC—
SMILESCC(C)(C)SC1[CH]C(=O)N(C(C)(C)C)C1=O
InChIInChI=1S/C12H20NO2S/c1-11(2,3)13-9(14)7-8(10(13)15)16-12(4,5)6/h7-8H,1-6H3
InChIKeyVKBSIDWWGHRMJL-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.26
Rot. Bonds1

About CID 59819310

CID 59819310 (PubChem CID 59819310) has the molecular formula C12H20NO2S and a molecular weight of 242.36 g/mol.

Molecular Properties

Compound NameCID 59819310
PubChem CID59819310
Molecular FormulaC12H20NO2S
Molecular Weight242.36 g/mol
Exact Mass242.12
IUPAC Name—
SMILESCC(C)(C)SC1[CH]C(=O)N(C(C)(C)C)C1=O
InChIInChI=1S/C12H20NO2S/c1-11(2,3)13-9(14)7-8(10(13)15)16-12(4,5)6/h7-8H,1-6H3
InChIKeyVKBSIDWWGHRMJL-UHFFFAOYSA-N
XLogP2.26
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59819310?
The IUPAC name of CID 59819310 (CID 59819310) is not available.
What is the SMILES notation for CID 59819310?
The canonical SMILES for CID 59819310 is CC(C)(C)SC1[CH]C(=O)N(C(C)(C)C)C1=O.
What is the InChIKey of CID 59819310?
The InChIKey is VKBSIDWWGHRMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20NO2S/c1-11(2,3)13-9(14)7-8(10(13)15)16-12(4,5)6/h7-8H,1-6H3.
What are the key properties of CID 59819310?
CID 59819310 has a molecular weight of 242.36 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59819310 is sourced from PubChem (CID 59819310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).