CID 140659122

C7H14NO3S — CID 140659122

IUPAC—
SMILESCS(=O)(=O)OC1CCC([NH])CC1
InChIInChI=1S/C7H14NO3S/c1-12(9,10)11-7-4-2-6(8)3-5-7/h6-8H,2-5H2,1H3
InChIKeyUHXBZCDSLWARBJ-UHFFFAOYSA-N
MW192.26 g/mol
LogP0.56
Rot. Bonds2

About CID 140659122

CID 140659122 (PubChem CID 140659122) has the molecular formula C7H14NO3S and a molecular weight of 192.26 g/mol.

Molecular Properties

Compound NameCID 140659122
PubChem CID140659122
Molecular FormulaC7H14NO3S
Molecular Weight192.26 g/mol
Exact Mass192.07
IUPAC Name—
SMILESCS(=O)(=O)OC1CCC([NH])CC1
InChIInChI=1S/C7H14NO3S/c1-12(9,10)11-7-4-2-6(8)3-5-7/h6-8H,2-5H2,1H3
InChIKeyUHXBZCDSLWARBJ-UHFFFAOYSA-N
XLogP0.56
TPSA67.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 140659122?
The IUPAC name of CID 140659122 (CID 140659122) is not available.
What is the SMILES notation for CID 140659122?
The canonical SMILES for CID 140659122 is CS(=O)(=O)OC1CCC([NH])CC1.
What is the InChIKey of CID 140659122?
The InChIKey is UHXBZCDSLWARBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14NO3S/c1-12(9,10)11-7-4-2-6(8)3-5-7/h6-8H,2-5H2,1H3.
What are the key properties of CID 140659122?
CID 140659122 has a molecular weight of 192.26 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140659122 is sourced from PubChem (CID 140659122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).