piperidin-2-one;sulfuric acid

C5H11NO5S — CID 175863460

IUPACpiperidin-2-one;sulfuric acid
SMILESO=C1CCCCN1.O=S(=O)(O)O
InChIInChI=1S/C5H9NO.H2O4S/c7-5-3-1-2-4-6-5;1-5(2,3)4/h1-4H2,(H,6,7);(H2,1,2,3,4)
InChIKeyLQBIXBZWGSCVCX-UHFFFAOYSA-N
MW197.21 g/mol
LogP-0.37
Rot. Bonds

About piperidin-2-one;sulfuric acid

piperidin-2-one;sulfuric acid (PubChem CID 175863460) has the molecular formula C5H11NO5S and a molecular weight of 197.21 g/mol. Its IUPAC name is piperidin-2-one;sulfuric acid.

Molecular Properties

Compound Namepiperidin-2-one;sulfuric acid
PubChem CID175863460
Molecular FormulaC5H11NO5S
Molecular Weight197.21 g/mol
Exact Mass197.04
IUPAC Namepiperidin-2-one;sulfuric acid
SMILESO=C1CCCCN1.O=S(=O)(O)O
InChIInChI=1S/C5H9NO.H2O4S/c7-5-3-1-2-4-6-5;1-5(2,3)4/h1-4H2,(H,6,7);(H2,1,2,3,4)
InChIKeyLQBIXBZWGSCVCX-UHFFFAOYSA-N
XLogP-0.37
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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azacyclotetracosan-2-one
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CID 77217086
CID 77217086
magnesium azepan-2-one
CID 18987030
azepan-2-one;pyrrolidin-2-one
CID 22023756
bis(azepan-2-one);dihydrochloride
CID 158190902
CID 70405773
CID 70405773
CID 176950935
CID 176950935
azepan-2-one;ethane
CID 91592472

Frequently Asked Questions

What is the IUPAC name of piperidin-2-one;sulfuric acid?
The IUPAC name of piperidin-2-one;sulfuric acid (CID 175863460) is piperidin-2-one;sulfuric acid.
What is the SMILES notation for piperidin-2-one;sulfuric acid?
The canonical SMILES for piperidin-2-one;sulfuric acid is O=C1CCCCN1.O=S(=O)(O)O.
What is the InChIKey of piperidin-2-one;sulfuric acid?
The InChIKey is LQBIXBZWGSCVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.H2O4S/c7-5-3-1-2-4-6-5;1-5(2,3)4/h1-4H2,(H,6,7);(H2,1,2,3,4).
What are the key properties of piperidin-2-one;sulfuric acid?
piperidin-2-one;sulfuric acid has a molecular weight of 197.21 g/mol, XLogP of -0.37, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-2-one;sulfuric acid is sourced from PubChem (CID 175863460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).