1-(2-propan-2-ylsulfanylethynyl)piperidine

C10H17NS — CID 134921082

IUPAC1-(2-propan-2-ylsulfanylethynyl)piperidine
SMILESCC(C)SC#CN1CCCCC1
InChIInChI=1S/C10H17NS/c1-10(2)12-9-8-11-6-4-3-5-7-11/h10H,3-7H2,1-2H3
InChIKeyNHXJBCUPQQSSQG-UHFFFAOYSA-N
MW183.32 g/mol
LogP2.53
Rot. Bonds1

About 1-(2-propan-2-ylsulfanylethynyl)piperidine

1-(2-propan-2-ylsulfanylethynyl)piperidine (PubChem CID 134921082) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 1-(2-propan-2-ylsulfanylethynyl)piperidine.

Molecular Properties

Compound Name1-(2-propan-2-ylsulfanylethynyl)piperidine
PubChem CID134921082
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name1-(2-propan-2-ylsulfanylethynyl)piperidine
SMILESCC(C)SC#CN1CCCCC1
InChIInChI=1S/C10H17NS/c1-10(2)12-9-8-11-6-4-3-5-7-11/h10H,3-7H2,1-2H3
InChIKeyNHXJBCUPQQSSQG-UHFFFAOYSA-N
XLogP2.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylsulfanylethynyl)piperidine?
The IUPAC name of 1-(2-propan-2-ylsulfanylethynyl)piperidine (CID 134921082) is 1-(2-propan-2-ylsulfanylethynyl)piperidine.
What is the SMILES notation for 1-(2-propan-2-ylsulfanylethynyl)piperidine?
The canonical SMILES for 1-(2-propan-2-ylsulfanylethynyl)piperidine is CC(C)SC#CN1CCCCC1.
What is the InChIKey of 1-(2-propan-2-ylsulfanylethynyl)piperidine?
The InChIKey is NHXJBCUPQQSSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-10(2)12-9-8-11-6-4-3-5-7-11/h10H,3-7H2,1-2H3.
What are the key properties of 1-(2-propan-2-ylsulfanylethynyl)piperidine?
1-(2-propan-2-ylsulfanylethynyl)piperidine has a molecular weight of 183.32 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylsulfanylethynyl)piperidine is sourced from PubChem (CID 134921082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).