5-piperidin-1-ylpentylcarbamothioic S-acid

C11H22N2OS — CID 88674571

IUPAC5-piperidin-1-ylpentylcarbamothioic S-acid
SMILESO=C(S)NCCCCCN1CCCCC1
InChIInChI=1S/C11H22N2OS/c14-11(15)12-7-3-1-4-8-13-9-5-2-6-10-13/h1-10H2,(H2,12,14,15)
InChIKeyPPMOAEPGZGQFRR-UHFFFAOYSA-N
MW230.38 g/mol
LogP2.28
Rot. Bonds6

About 5-piperidin-1-ylpentylcarbamothioic S-acid

5-piperidin-1-ylpentylcarbamothioic S-acid (PubChem CID 88674571) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is 5-piperidin-1-ylpentylcarbamothioic S-acid.

Molecular Properties

Compound Name5-piperidin-1-ylpentylcarbamothioic S-acid
PubChem CID88674571
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC Name5-piperidin-1-ylpentylcarbamothioic S-acid
SMILESO=C(S)NCCCCCN1CCCCC1
InChIInChI=1S/C11H22N2OS/c14-11(15)12-7-3-1-4-8-13-9-5-2-6-10-13/h1-10H2,(H2,12,14,15)
InChIKeyPPMOAEPGZGQFRR-UHFFFAOYSA-N
XLogP2.28
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-ylpentylcarbamothioic S-acid?
The IUPAC name of 5-piperidin-1-ylpentylcarbamothioic S-acid (CID 88674571) is 5-piperidin-1-ylpentylcarbamothioic S-acid.
What is the SMILES notation for 5-piperidin-1-ylpentylcarbamothioic S-acid?
The canonical SMILES for 5-piperidin-1-ylpentylcarbamothioic S-acid is O=C(S)NCCCCCN1CCCCC1.
What is the InChIKey of 5-piperidin-1-ylpentylcarbamothioic S-acid?
The InChIKey is PPMOAEPGZGQFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c14-11(15)12-7-3-1-4-8-13-9-5-2-6-10-13/h1-10H2,(H2,12,14,15).
What are the key properties of 5-piperidin-1-ylpentylcarbamothioic S-acid?
5-piperidin-1-ylpentylcarbamothioic S-acid has a molecular weight of 230.38 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-ylpentylcarbamothioic S-acid is sourced from PubChem (CID 88674571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).