3-(ethylsulfanylmethyl)-2-[piperidin-1-yl(propylsulfanyl)methyl]piperidine

C17H34N2S2 — CID 173367570

IUPAC3-(ethylsulfanylmethyl)-2-[piperidin-1-yl(propylsulfanyl)methyl]piperidine
SMILESCCCSC(C1NCCCC1CSCC)N1CCCCC1
InChIInChI=1S/C17H34N2S2/c1-3-13-21-17(19-11-6-5-7-12-19)16-15(14-20-4-2)9-8-10-18-16/h15-18H,3-14H2,1-2H3
InChIKeyPAEXBPMLTXLNQC-UHFFFAOYSA-N
MW330.61 g/mol
LogP4.06
Rot. Bonds8

About 3-(ethylsulfanylmethyl)-2-[piperidin-1-yl(propylsulfanyl)methyl]piperidine

3-(ethylsulfanylmethyl)-2-[piperidin-1-yl(propylsulfanyl)methyl]piperidine (PubChem CID 173367570) has the molecular formula C17H34N2S2 and a molecular weight of 330.61 g/mol. Its IUPAC name is 3-(ethylsulfanylmethyl)-2-[piperidin-1-yl(propylsulfanyl)methyl]piperidine.

Molecular Properties

Compound Name3-(ethylsulfanylmethyl)-2-[piperidin-1-yl(propylsulfanyl)methyl]piperidine
PubChem CID173367570
Molecular FormulaC17H34N2S2
Molecular Weight330.61 g/mol
Exact Mass330.22
IUPAC Name3-(ethylsulfanylmethyl)-2-[piperidin-1-yl(propylsulfanyl)methyl]piperidine
SMILESCCCSC(C1NCCCC1CSCC)N1CCCCC1
InChIInChI=1S/C17H34N2S2/c1-3-13-21-17(19-11-6-5-7-12-19)16-15(14-20-4-2)9-8-10-18-16/h15-18H,3-14H2,1-2H3
InChIKeyPAEXBPMLTXLNQC-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.61
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(ethylsulfanylmethyl)-2-[piperidin-1-yl(propylsulfanyl)methyl]piperidine?
The IUPAC name of 3-(ethylsulfanylmethyl)-2-[piperidin-1-yl(propylsulfanyl)methyl]piperidine (CID 173367570) is 3-(ethylsulfanylmethyl)-2-[piperidin-1-yl(propylsulfanyl)methyl]piperidine.
What is the SMILES notation for 3-(ethylsulfanylmethyl)-2-[piperidin-1-yl(propylsulfanyl)methyl]piperidine?
The canonical SMILES for 3-(ethylsulfanylmethyl)-2-[piperidin-1-yl(propylsulfanyl)methyl]piperidine is CCCSC(C1NCCCC1CSCC)N1CCCCC1.
What is the InChIKey of 3-(ethylsulfanylmethyl)-2-[piperidin-1-yl(propylsulfanyl)methyl]piperidine?
The InChIKey is PAEXBPMLTXLNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2S2/c1-3-13-21-17(19-11-6-5-7-12-19)16-15(14-20-4-2)9-8-10-18-16/h15-18H,3-14H2,1-2H3.
What are the key properties of 3-(ethylsulfanylmethyl)-2-[piperidin-1-yl(propylsulfanyl)methyl]piperidine?
3-(ethylsulfanylmethyl)-2-[piperidin-1-yl(propylsulfanyl)methyl]piperidine has a molecular weight of 330.61 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylsulfanylmethyl)-2-[piperidin-1-yl(propylsulfanyl)methyl]piperidine is sourced from PubChem (CID 173367570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).