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

C8H16N2OS — CID 16795330

IUPAC2-(2-hydroxyethyl)piperidine-1-carbothioamide
SMILESNC(=S)N1CCCCC1CCO
InChIInChI=1S/C8H16N2OS/c9-8(12)10-5-2-1-3-7(10)4-6-11/h7,11H,1-6H2,(H2,9,12)
InChIKeyVSIDIAKXNFQCQW-UHFFFAOYSA-N
MW188.30 g/mol
LogP0.47
Rot. Bonds2

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

2-(2-hydroxyethyl)piperidine-1-carbothioamide (PubChem CID 16795330) has the molecular formula C8H16N2OS and a molecular weight of 188.30 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)piperidine-1-carbothioamide.

Molecular Properties

Compound Name2-(2-hydroxyethyl)piperidine-1-carbothioamide
PubChem CID16795330
Molecular FormulaC8H16N2OS
Molecular Weight188.30 g/mol
Exact Mass188.10
IUPAC Name2-(2-hydroxyethyl)piperidine-1-carbothioamide
SMILESNC(=S)N1CCCCC1CCO
InChIInChI=1S/C8H16N2OS/c9-8(12)10-5-2-1-3-7(10)4-6-11/h7,11H,1-6H2,(H2,9,12)
InChIKeyVSIDIAKXNFQCQW-UHFFFAOYSA-N
XLogP0.47
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 ≤ 50.47
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 2-(2-hydroxyethyl)piperidine-1-carbothioamide?
The IUPAC name of 2-(2-hydroxyethyl)piperidine-1-carbothioamide (CID 16795330) is 2-(2-hydroxyethyl)piperidine-1-carbothioamide.
What is the SMILES notation for 2-(2-hydroxyethyl)piperidine-1-carbothioamide?
The canonical SMILES for 2-(2-hydroxyethyl)piperidine-1-carbothioamide is NC(=S)N1CCCCC1CCO.
What is the InChIKey of 2-(2-hydroxyethyl)piperidine-1-carbothioamide?
The InChIKey is VSIDIAKXNFQCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2OS/c9-8(12)10-5-2-1-3-7(10)4-6-11/h7,11H,1-6H2,(H2,9,12).
What are the key properties of 2-(2-hydroxyethyl)piperidine-1-carbothioamide?
2-(2-hydroxyethyl)piperidine-1-carbothioamide has a molecular weight of 188.30 g/mol, XLogP of 0.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)piperidine-1-carbothioamide is sourced from PubChem (CID 16795330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).