4-(1-propan-2-ylsulfanylethyl)piperidine;4-(propan-2-ylsulfanylmethyl)piperidine

C19H40N2S2 — CID 157050863

IUPAC4-(1-propan-2-ylsulfanylethyl)piperidine;4-(propan-2-ylsulfanylmethyl)piperidine
SMILESCC(C)SC(C)C1CCNCC1.CC(C)SCC1CCNCC1
InChIInChI=1S/C10H21NS.C9H19NS/c1-8(2)12-9(3)10-4-6-11-7-5-10;1-8(2)11-7-9-3-5-10-6-4-9/h8-11H,4-7H2,1-3H3;8-10H,3-7H2,1-2H3
InChIKeyAAEOKNWBOYSUNU-UHFFFAOYSA-N
MW360.68 g/mol
LogP4.64
Rot. Bonds6

About 4-(1-propan-2-ylsulfanylethyl)piperidine;4-(propan-2-ylsulfanylmethyl)piperidine

4-(1-propan-2-ylsulfanylethyl)piperidine;4-(propan-2-ylsulfanylmethyl)piperidine (PubChem CID 157050863) has the molecular formula C19H40N2S2 and a molecular weight of 360.68 g/mol. Its IUPAC name is 4-(1-propan-2-ylsulfanylethyl)piperidine;4-(propan-2-ylsulfanylmethyl)piperidine.

Molecular Properties

Compound Name4-(1-propan-2-ylsulfanylethyl)piperidine;4-(propan-2-ylsulfanylmethyl)piperidine
PubChem CID157050863
Molecular FormulaC19H40N2S2
Molecular Weight360.68 g/mol
Exact Mass360.26
IUPAC Name4-(1-propan-2-ylsulfanylethyl)piperidine;4-(propan-2-ylsulfanylmethyl)piperidine
SMILESCC(C)SC(C)C1CCNCC1.CC(C)SCC1CCNCC1
InChIInChI=1S/C10H21NS.C9H19NS/c1-8(2)12-9(3)10-4-6-11-7-5-10;1-8(2)11-7-9-3-5-10-6-4-9/h8-11H,4-7H2,1-3H3;8-10H,3-7H2,1-2H3
InChIKeyAAEOKNWBOYSUNU-UHFFFAOYSA-N
XLogP4.64
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.68
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-propan-2-ylsulfanylethyl)piperidine;4-(propan-2-ylsulfanylmethyl)piperidine?
The IUPAC name of 4-(1-propan-2-ylsulfanylethyl)piperidine;4-(propan-2-ylsulfanylmethyl)piperidine (CID 157050863) is 4-(1-propan-2-ylsulfanylethyl)piperidine;4-(propan-2-ylsulfanylmethyl)piperidine.
What is the SMILES notation for 4-(1-propan-2-ylsulfanylethyl)piperidine;4-(propan-2-ylsulfanylmethyl)piperidine?
The canonical SMILES for 4-(1-propan-2-ylsulfanylethyl)piperidine;4-(propan-2-ylsulfanylmethyl)piperidine is CC(C)SC(C)C1CCNCC1.CC(C)SCC1CCNCC1.
What is the InChIKey of 4-(1-propan-2-ylsulfanylethyl)piperidine;4-(propan-2-ylsulfanylmethyl)piperidine?
The InChIKey is AAEOKNWBOYSUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NS.C9H19NS/c1-8(2)12-9(3)10-4-6-11-7-5-10;1-8(2)11-7-9-3-5-10-6-4-9/h8-11H,4-7H2,1-3H3;8-10H,3-7H2,1-2H3.
What are the key properties of 4-(1-propan-2-ylsulfanylethyl)piperidine;4-(propan-2-ylsulfanylmethyl)piperidine?
4-(1-propan-2-ylsulfanylethyl)piperidine;4-(propan-2-ylsulfanylmethyl)piperidine has a molecular weight of 360.68 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-propan-2-ylsulfanylethyl)piperidine;4-(propan-2-ylsulfanylmethyl)piperidine is sourced from PubChem (CID 157050863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).