N-[(4-methylthiophen-3-yl)methyl]-2-piperidin-4-ylsulfanylacetamide

C13H20N2OS2 — CID 114627831

IUPACN-[(4-methylthiophen-3-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
SMILESCc1cscc1CNC(=O)CSC1CCNCC1
InChIInChI=1S/C13H20N2OS2/c1-10-7-17-8-11(10)6-15-13(16)9-18-12-2-4-14-5-3-12/h7-8,12,14H,2-6,9H2,1H3,(H,15,16)
InChIKeyOKOCVWAOTXFTQZ-UHFFFAOYSA-N
MW284.45 g/mol
LogP2.16
Rot. Bonds5

About N-[(4-methylthiophen-3-yl)methyl]-2-piperidin-4-ylsulfanylacetamide

N-[(4-methylthiophen-3-yl)methyl]-2-piperidin-4-ylsulfanylacetamide (PubChem CID 114627831) has the molecular formula C13H20N2OS2 and a molecular weight of 284.45 g/mol. Its IUPAC name is N-[(4-methylthiophen-3-yl)methyl]-2-piperidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[(4-methylthiophen-3-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
PubChem CID114627831
Molecular FormulaC13H20N2OS2
Molecular Weight284.45 g/mol
Exact Mass284.10
IUPAC NameN-[(4-methylthiophen-3-yl)methyl]-2-piperidin-4-ylsulfanylacetamide
SMILESCc1cscc1CNC(=O)CSC1CCNCC1
InChIInChI=1S/C13H20N2OS2/c1-10-7-17-8-11(10)6-15-13(16)9-18-12-2-4-14-5-3-12/h7-8,12,14H,2-6,9H2,1H3,(H,15,16)
InChIKeyOKOCVWAOTXFTQZ-UHFFFAOYSA-N
XLogP2.16
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoro-N-[(4-methylthiophen-3-yl)methyl]acetamide
CID 80247456
2,2-difluoro-N-[(4-methylthiophen-3-yl)methyl]acetamide
CID 103515839
2-(cyclopentylthio)-N-((1-(thiophen-3-ylmethyl)piperidin-4-yl)methyl)acetamide
CID 71806268
4-methyl-N-piperidin-3-ylthiophene-3-carboxamide
CID 79808111
N-[1-(thiophen-3-ylmethyl)piperidin-4-yl]acetamide
CID 142634213
N-ethyl-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide
CID 30965865
5-Methyl-3-(piperidin-4-ylmethyl)-2-thiophen-3-yl-1,3-thiazolidin-4-one
CID 42795751
N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)acetamide
CID 43162389
1-[4-(Thiophen-3-ylmethylamino)piperidin-1-yl]ethanone
CID 43224260
2-(2-aminoethylsulfanyl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 43249617
2-Methyl-1-[4-(thiophen-3-ylmethylamino)piperidin-1-yl]propan-1-one
CID 43434861
N-methyl-N-[(thiophen-3-yl)methyl]piperidine-4-carboxamide
CID 43528282

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylthiophen-3-yl)methyl]-2-piperidin-4-ylsulfanylacetamide?
The IUPAC name of N-[(4-methylthiophen-3-yl)methyl]-2-piperidin-4-ylsulfanylacetamide (CID 114627831) is N-[(4-methylthiophen-3-yl)methyl]-2-piperidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-[(4-methylthiophen-3-yl)methyl]-2-piperidin-4-ylsulfanylacetamide?
The canonical SMILES for N-[(4-methylthiophen-3-yl)methyl]-2-piperidin-4-ylsulfanylacetamide is Cc1cscc1CNC(=O)CSC1CCNCC1.
What is the InChIKey of N-[(4-methylthiophen-3-yl)methyl]-2-piperidin-4-ylsulfanylacetamide?
The InChIKey is OKOCVWAOTXFTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS2/c1-10-7-17-8-11(10)6-15-13(16)9-18-12-2-4-14-5-3-12/h7-8,12,14H,2-6,9H2,1H3,(H,15,16).
What are the key properties of N-[(4-methylthiophen-3-yl)methyl]-2-piperidin-4-ylsulfanylacetamide?
N-[(4-methylthiophen-3-yl)methyl]-2-piperidin-4-ylsulfanylacetamide has a molecular weight of 284.45 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylthiophen-3-yl)methyl]-2-piperidin-4-ylsulfanylacetamide is sourced from PubChem (CID 114627831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).