3-ethyl-1-propan-2-ylpiperidine-2-thione

C10H19NS — CID 19877832

IUPAC3-ethyl-1-propan-2-ylpiperidine-2-thione
SMILESCCC1CCCN(C(C)C)C1=S
InChIInChI=1S/C10H19NS/c1-4-9-6-5-7-11(8(2)3)10(9)12/h8-9H,4-7H2,1-3H3
InChIKeyUBROOLVAVIZIDF-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.84
Rot. Bonds2

About 3-ethyl-1-propan-2-ylpiperidine-2-thione

3-ethyl-1-propan-2-ylpiperidine-2-thione (PubChem CID 19877832) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 3-ethyl-1-propan-2-ylpiperidine-2-thione.

Molecular Properties

Compound Name3-ethyl-1-propan-2-ylpiperidine-2-thione
PubChem CID19877832
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name3-ethyl-1-propan-2-ylpiperidine-2-thione
SMILESCCC1CCCN(C(C)C)C1=S
InChIInChI=1S/C10H19NS/c1-4-9-6-5-7-11(8(2)3)10(9)12/h8-9H,4-7H2,1-3H3
InChIKeyUBROOLVAVIZIDF-UHFFFAOYSA-N
XLogP2.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-ethyl-1-propan-2-ylpiperidine-2-thione?
The IUPAC name of 3-ethyl-1-propan-2-ylpiperidine-2-thione (CID 19877832) is 3-ethyl-1-propan-2-ylpiperidine-2-thione.
What is the SMILES notation for 3-ethyl-1-propan-2-ylpiperidine-2-thione?
The canonical SMILES for 3-ethyl-1-propan-2-ylpiperidine-2-thione is CCC1CCCN(C(C)C)C1=S.
What is the InChIKey of 3-ethyl-1-propan-2-ylpiperidine-2-thione?
The InChIKey is UBROOLVAVIZIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-4-9-6-5-7-11(8(2)3)10(9)12/h8-9H,4-7H2,1-3H3.
What are the key properties of 3-ethyl-1-propan-2-ylpiperidine-2-thione?
3-ethyl-1-propan-2-ylpiperidine-2-thione has a molecular weight of 185.34 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-propan-2-ylpiperidine-2-thione is sourced from PubChem (CID 19877832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).