CID 58544135

C4H8NO2S — CID 58544135

IUPAC—
SMILES[CH2]S(=O)(=O)NCC=C
InChIInChI=1S/C4H8NO2S/c1-3-4-5-8(2,6)7/h3,5H,1-2,4H2
InChIKeyYLAKYUBIJYINAF-UHFFFAOYSA-N
MW134.18 g/mol
LogP-0.12
Rot. Bonds3

About CID 58544135

CID 58544135 (PubChem CID 58544135) has the molecular formula C4H8NO2S and a molecular weight of 134.18 g/mol.

Molecular Properties

Compound NameCID 58544135
PubChem CID58544135
Molecular FormulaC4H8NO2S
Molecular Weight134.18 g/mol
Exact Mass134.03
IUPAC Name—
SMILES[CH2]S(=O)(=O)NCC=C
InChIInChI=1S/C4H8NO2S/c1-3-4-5-8(2,6)7/h3,5H,1-2,4H2
InChIKeyYLAKYUBIJYINAF-UHFFFAOYSA-N
XLogP-0.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 58544135?
The IUPAC name of CID 58544135 (CID 58544135) is not available.
What is the SMILES notation for CID 58544135?
The canonical SMILES for CID 58544135 is [CH2]S(=O)(=O)NCC=C.
What is the InChIKey of CID 58544135?
The InChIKey is YLAKYUBIJYINAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8NO2S/c1-3-4-5-8(2,6)7/h3,5H,1-2,4H2.
What are the key properties of CID 58544135?
CID 58544135 has a molecular weight of 134.18 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58544135 is sourced from PubChem (CID 58544135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).