2-cyclopentylsulfanyl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]acetamide

C18H28N2OS2 — CID 71806268

IUPAC2-cyclopentylsulfanyl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]acetamide
SMILESO=C(CSC1CCCC1)NCC1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C18H28N2OS2/c21-18(14-23-17-3-1-2-4-17)19-11-15-5-8-20(9-6-15)12-16-7-10-22-13-16/h7,10,13,15,17H,1-6,8-9,11-12,14H2,(H,19,21)
InChIKeyJYLRIKMNTQXEAA-UHFFFAOYSA-N
MW352.57 g/mol
LogP3.75
Rot. Bonds7

About 2-cyclopentylsulfanyl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]acetamide

2-cyclopentylsulfanyl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]acetamide (PubChem CID 71806268) has the molecular formula C18H28N2OS2 and a molecular weight of 352.57 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]acetamide
PubChem CID71806268
Molecular FormulaC18H28N2OS2
Molecular Weight352.57 g/mol
Exact Mass352.16
IUPAC Name2-cyclopentylsulfanyl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]acetamide
SMILESO=C(CSC1CCCC1)NCC1CCN(Cc2ccsc2)CC1
InChIInChI=1S/C18H28N2OS2/c21-18(14-23-17-3-1-2-4-17)19-11-15-5-8-20(9-6-15)12-16-7-10-22-13-16/h7,10,13,15,17H,1-6,8-9,11-12,14H2,(H,19,21)
InChIKeyJYLRIKMNTQXEAA-UHFFFAOYSA-N
XLogP3.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.57
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]acetamide (CID 71806268) is 2-cyclopentylsulfanyl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]acetamide is O=C(CSC1CCCC1)NCC1CCN(Cc2ccsc2)CC1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is JYLRIKMNTQXEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2OS2/c21-18(14-23-17-3-1-2-4-17)19-11-15-5-8-20(9-6-15)12-16-7-10-22-13-16/h7,10,13,15,17H,1-6,8-9,11-12,14H2,(H,19,21).
What are the key properties of 2-cyclopentylsulfanyl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]acetamide?
2-cyclopentylsulfanyl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 352.57 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-[[1-(thiophen-3-ylmethyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 71806268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).