4-(2-hydroxyethyl)piperidine-1-carbothioamide

C8H16N2OS — CID 87305000

IUPAC4-(2-hydroxyethyl)piperidine-1-carbothioamide
SMILESNC(=S)N1CCC(CCO)CC1
InChIInChI=1S/C8H16N2OS/c9-8(12)10-4-1-7(2-5-10)3-6-11/h7,11H,1-6H2,(H2,9,12)
InChIKeyPTDLWHVBZDMRBP-UHFFFAOYSA-N
MW188.30 g/mol
LogP0.32
Rot. Bonds2

About 4-(2-hydroxyethyl)piperidine-1-carbothioamide

4-(2-hydroxyethyl)piperidine-1-carbothioamide (PubChem CID 87305000) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)piperidine-1-carbothioamide.

Molecular Properties

Compound Name4-(2-hydroxyethyl)piperidine-1-carbothioamide
PubChem CID87305000
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC Name4-(2-hydroxyethyl)piperidine-1-carbothioamide
SMILESNC(=S)N1CCC(CCO)CC1
InChIInChI=1S/C8H16N2OS/c9-8(12)10-4-1-7(2-5-10)3-6-11/h7,11H,1-6H2,(H2,9,12)
InChIKeyPTDLWHVBZDMRBP-UHFFFAOYSA-N
XLogP0.32
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)piperidine-1-carbothioamide?
The IUPAC name of 4-(2-hydroxyethyl)piperidine-1-carbothioamide (CID 87305000) is 4-(2-hydroxyethyl)piperidine-1-carbothioamide.
What is the SMILES notation for 4-(2-hydroxyethyl)piperidine-1-carbothioamide?
The canonical SMILES for 4-(2-hydroxyethyl)piperidine-1-carbothioamide is NC(=S)N1CCC(CCO)CC1.
What is the InChIKey of 4-(2-hydroxyethyl)piperidine-1-carbothioamide?
The InChIKey is PTDLWHVBZDMRBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS/c9-8(12)10-4-1-7(2-5-10)3-6-11/h7,11H,1-6H2,(H2,9,12).
What are the key properties of 4-(2-hydroxyethyl)piperidine-1-carbothioamide?
4-(2-hydroxyethyl)piperidine-1-carbothioamide has a molecular weight of 188.30 g/mol, XLogP of 0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)piperidine-1-carbothioamide is sourced from PubChem (CID 87305000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).