piperidin-1-ium-4-sulfonamide

C5H13N2O2S+ — CID 51980291

IUPACpiperidin-1-ium-4-sulfonamide
SMILESNS(=O)(=O)C1CC[NH2+]CC1
InChIInChI=1S/C5H12N2O2S/c6-10(8,9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H2,6,8,9)/p+1
InChIKeySMXMELMJCICPJG-UHFFFAOYSA-O
MW165.24 g/mol
LogP-2.00
Rot. Bonds1

About piperidin-1-ium-4-sulfonamide

piperidin-1-ium-4-sulfonamide (PubChem CID 51980291) has the molecular formula C5H13N2O2S+ and a molecular weight of 165.24 g/mol. Its IUPAC name is piperidin-1-ium-4-sulfonamide.

Molecular Properties

Compound Namepiperidin-1-ium-4-sulfonamide
PubChem CID51980291
Molecular FormulaC5H13N2O2S+
Molecular Weight165.24 g/mol
Exact Mass165.07
IUPAC Namepiperidin-1-ium-4-sulfonamide
SMILESNS(=O)(=O)C1CC[NH2+]CC1
InChIInChI=1S/C5H12N2O2S/c6-10(8,9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H2,6,8,9)/p+1
InChIKeySMXMELMJCICPJG-UHFFFAOYSA-O
XLogP-2.00
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 5-2.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-ium-4-sulfonamide?
The IUPAC name of piperidin-1-ium-4-sulfonamide (CID 51980291) is piperidin-1-ium-4-sulfonamide.
What is the SMILES notation for piperidin-1-ium-4-sulfonamide?
The canonical SMILES for piperidin-1-ium-4-sulfonamide is NS(=O)(=O)C1CC[NH2+]CC1.
What is the InChIKey of piperidin-1-ium-4-sulfonamide?
The InChIKey is SMXMELMJCICPJG-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H12N2O2S/c6-10(8,9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H2,6,8,9)/p+1.
What are the key properties of piperidin-1-ium-4-sulfonamide?
piperidin-1-ium-4-sulfonamide has a molecular weight of 165.24 g/mol, XLogP of -2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-ium-4-sulfonamide is sourced from PubChem (CID 51980291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).