4-(prop-1-en-2-ylsulfanylmethyl)piperidine

C9H17NS — CID 67489984

IUPAC4-(prop-1-en-2-ylsulfanylmethyl)piperidine
SMILESC=C(C)SCC1CCNCC1
InChIInChI=1S/C9H17NS/c1-8(2)11-7-9-3-5-10-6-4-9/h9-10H,1,3-7H2,2H3
InChIKeyGKKFODOAOGAMQG-UHFFFAOYSA-N
MW171.31 g/mol
LogP2.25
Rot. Bonds3

About 4-(prop-1-en-2-ylsulfanylmethyl)piperidine

4-(prop-1-en-2-ylsulfanylmethyl)piperidine (PubChem CID 67489984) has the molecular formula C9H17NS and a molecular weight of 171.31 g/mol. Its IUPAC name is 4-(prop-1-en-2-ylsulfanylmethyl)piperidine.

Molecular Properties

Compound Name4-(prop-1-en-2-ylsulfanylmethyl)piperidine
PubChem CID67489984
Molecular FormulaC9H17NS
Molecular Weight171.31 g/mol
Exact Mass171.11
IUPAC Name4-(prop-1-en-2-ylsulfanylmethyl)piperidine
SMILESC=C(C)SCC1CCNCC1
InChIInChI=1S/C9H17NS/c1-8(2)11-7-9-3-5-10-6-4-9/h9-10H,1,3-7H2,2H3
InChIKeyGKKFODOAOGAMQG-UHFFFAOYSA-N
XLogP2.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(prop-1-en-2-ylsulfanylmethyl)piperidine?
The IUPAC name of 4-(prop-1-en-2-ylsulfanylmethyl)piperidine (CID 67489984) is 4-(prop-1-en-2-ylsulfanylmethyl)piperidine.
What is the SMILES notation for 4-(prop-1-en-2-ylsulfanylmethyl)piperidine?
The canonical SMILES for 4-(prop-1-en-2-ylsulfanylmethyl)piperidine is C=C(C)SCC1CCNCC1.
What is the InChIKey of 4-(prop-1-en-2-ylsulfanylmethyl)piperidine?
The InChIKey is GKKFODOAOGAMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS/c1-8(2)11-7-9-3-5-10-6-4-9/h9-10H,1,3-7H2,2H3.
What are the key properties of 4-(prop-1-en-2-ylsulfanylmethyl)piperidine?
4-(prop-1-en-2-ylsulfanylmethyl)piperidine has a molecular weight of 171.31 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(prop-1-en-2-ylsulfanylmethyl)piperidine is sourced from PubChem (CID 67489984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).