1-(2-propan-2-ylsulfanylethyl)piperidine

C10H21NS — CID 21135706

IUPAC1-(2-propan-2-ylsulfanylethyl)piperidine
SMILESCC(C)SCCN1CCCCC1
InChIInChI=1S/C10H21NS/c1-10(2)12-9-8-11-6-4-3-5-7-11/h10H,3-9H2,1-2H3
InChIKeyXAEPXWWNCDMHJL-UHFFFAOYSA-N
MW187.35 g/mol
LogP2.61
Rot. Bonds4

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

1-(2-propan-2-ylsulfanylethyl)piperidine (PubChem CID 21135706) has the molecular formula C10H21NS and a molecular weight of 187.35 g/mol. Its IUPAC name is 1-(2-propan-2-ylsulfanylethyl)piperidine.

Molecular Properties

Compound Name1-(2-propan-2-ylsulfanylethyl)piperidine
PubChem CID21135706
Molecular FormulaC10H21NS
Molecular Weight187.35 g/mol
Exact Mass187.14
IUPAC Name1-(2-propan-2-ylsulfanylethyl)piperidine
SMILESCC(C)SCCN1CCCCC1
InChIInChI=1S/C10H21NS/c1-10(2)12-9-8-11-6-4-3-5-7-11/h10H,3-9H2,1-2H3
InChIKeyXAEPXWWNCDMHJL-UHFFFAOYSA-N
XLogP2.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.35
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylsulfanylethyl)piperidine?
The IUPAC name of 1-(2-propan-2-ylsulfanylethyl)piperidine (CID 21135706) is 1-(2-propan-2-ylsulfanylethyl)piperidine.
What is the SMILES notation for 1-(2-propan-2-ylsulfanylethyl)piperidine?
The canonical SMILES for 1-(2-propan-2-ylsulfanylethyl)piperidine is CC(C)SCCN1CCCCC1.
What is the InChIKey of 1-(2-propan-2-ylsulfanylethyl)piperidine?
The InChIKey is XAEPXWWNCDMHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS/c1-10(2)12-9-8-11-6-4-3-5-7-11/h10H,3-9H2,1-2H3.
What are the key properties of 1-(2-propan-2-ylsulfanylethyl)piperidine?
1-(2-propan-2-ylsulfanylethyl)piperidine has a molecular weight of 187.35 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylsulfanylethyl)piperidine is sourced from PubChem (CID 21135706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).