CID 58998029

C5H9NO2S — CID 58998029

IUPAC—
SMILES[CH]N1CCS(=O)(=O)CC1
InChIInChI=1S/C5H9NO2S/c1-6-2-4-9(7,8)5-3-6/h1H,2-5H2
InChIKeyJSAVRKKKWZSQKG-UHFFFAOYSA-N
MW147.20 g/mol
LogP-0.61
Rot. Bonds

About CID 58998029

CID 58998029 (PubChem CID 58998029) has the molecular formula C5H9NO2S and a molecular weight of 147.20 g/mol.

Molecular Properties

Compound NameCID 58998029
PubChem CID58998029
Molecular FormulaC5H9NO2S
Molecular Weight147.20 g/mol
Exact Mass147.04
IUPAC Name—
SMILES[CH]N1CCS(=O)(=O)CC1
InChIInChI=1S/C5H9NO2S/c1-6-2-4-9(7,8)5-3-6/h1H,2-5H2
InChIKeyJSAVRKKKWZSQKG-UHFFFAOYSA-N
XLogP-0.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.20
LogP ≤ 5-0.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 58998029?
The IUPAC name of CID 58998029 (CID 58998029) is not available.
What is the SMILES notation for CID 58998029?
The canonical SMILES for CID 58998029 is [CH]N1CCS(=O)(=O)CC1.
What is the InChIKey of CID 58998029?
The InChIKey is JSAVRKKKWZSQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2S/c1-6-2-4-9(7,8)5-3-6/h1H,2-5H2.
What are the key properties of CID 58998029?
CID 58998029 has a molecular weight of 147.20 g/mol, XLogP of -0.61, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58998029 is sourced from PubChem (CID 58998029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).