4-(cyclopropylmethyl)-4-(propan-2-ylsulfanylmethyl)piperidine

C13H25NS — CID 23388598

IUPAC4-(cyclopropylmethyl)-4-(propan-2-ylsulfanylmethyl)piperidine
SMILESCC(C)SCC1(CC2CC2)CCNCC1
InChIInChI=1S/C13H25NS/c1-11(2)15-10-13(9-12-3-4-12)5-7-14-8-6-13/h11-12,14H,3-10H2,1-2H3
InChIKeyIRUWKKPDOACBIS-UHFFFAOYSA-N
MW227.42 g/mol
LogP3.30
Rot. Bonds5

About 4-(cyclopropylmethyl)-4-(propan-2-ylsulfanylmethyl)piperidine

4-(cyclopropylmethyl)-4-(propan-2-ylsulfanylmethyl)piperidine (PubChem CID 23388598) has the molecular formula C13H25NS and a molecular weight of 227.42 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-4-(propan-2-ylsulfanylmethyl)piperidine.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-4-(propan-2-ylsulfanylmethyl)piperidine
PubChem CID23388598
Molecular FormulaC13H25NS
Molecular Weight227.42 g/mol
Exact Mass227.17
IUPAC Name4-(cyclopropylmethyl)-4-(propan-2-ylsulfanylmethyl)piperidine
SMILESCC(C)SCC1(CC2CC2)CCNCC1
InChIInChI=1S/C13H25NS/c1-11(2)15-10-13(9-12-3-4-12)5-7-14-8-6-13/h11-12,14H,3-10H2,1-2H3
InChIKeyIRUWKKPDOACBIS-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-4-(propan-2-ylsulfanylmethyl)piperidine?
The IUPAC name of 4-(cyclopropylmethyl)-4-(propan-2-ylsulfanylmethyl)piperidine (CID 23388598) is 4-(cyclopropylmethyl)-4-(propan-2-ylsulfanylmethyl)piperidine.
What is the SMILES notation for 4-(cyclopropylmethyl)-4-(propan-2-ylsulfanylmethyl)piperidine?
The canonical SMILES for 4-(cyclopropylmethyl)-4-(propan-2-ylsulfanylmethyl)piperidine is CC(C)SCC1(CC2CC2)CCNCC1.
What is the InChIKey of 4-(cyclopropylmethyl)-4-(propan-2-ylsulfanylmethyl)piperidine?
The InChIKey is IRUWKKPDOACBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NS/c1-11(2)15-10-13(9-12-3-4-12)5-7-14-8-6-13/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 4-(cyclopropylmethyl)-4-(propan-2-ylsulfanylmethyl)piperidine?
4-(cyclopropylmethyl)-4-(propan-2-ylsulfanylmethyl)piperidine has a molecular weight of 227.42 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-4-(propan-2-ylsulfanylmethyl)piperidine is sourced from PubChem (CID 23388598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).