N-[1-[2-(3-methylbutan-2-ylsulfanyl)acetyl]piperidin-3-yl]acetamide

C14H26N2O2S — CID 71926391

IUPACN-[1-[2-(3-methylbutan-2-ylsulfanyl)acetyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)CSC(C)C(C)C)C1
InChIInChI=1S/C14H26N2O2S/c1-10(2)11(3)19-9-14(18)16-7-5-6-13(8-16)15-12(4)17/h10-11,13H,5-9H2,1-4H3,(H,15,17)
InChIKeyJYKNVGFOCWLTOP-UHFFFAOYSA-N
MW286.44 g/mol
LogP1.89
Rot. Bonds5

About N-[1-[2-(3-methylbutan-2-ylsulfanyl)acetyl]piperidin-3-yl]acetamide

N-[1-[2-(3-methylbutan-2-ylsulfanyl)acetyl]piperidin-3-yl]acetamide (PubChem CID 71926391) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-[1-[2-(3-methylbutan-2-ylsulfanyl)acetyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(3-methylbutan-2-ylsulfanyl)acetyl]piperidin-3-yl]acetamide
PubChem CID71926391
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC NameN-[1-[2-(3-methylbutan-2-ylsulfanyl)acetyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(C(=O)CSC(C)C(C)C)C1
InChIInChI=1S/C14H26N2O2S/c1-10(2)11(3)19-9-14(18)16-7-5-6-13(8-16)15-12(4)17/h10-11,13H,5-9H2,1-4H3,(H,15,17)
InChIKeyJYKNVGFOCWLTOP-UHFFFAOYSA-N
XLogP1.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-1-[2-[(1R)-1-phenylethyl]sulfanylacetyl]piperidin-3-yl]acetamide
CID 97228273
N-[1-[2-(methylamino)acetyl]piperidin-3-yl]acetamide
CID 60947690
N-[1-(3-chloropropanoyl)piperidin-3-yl]acetamide
CID 60948683
N-[(3S)-1-[2-[(1R)-1-phenylpropyl]sulfanylacetyl]piperidin-3-yl]acetamide
CID 97096418
N-[1-(2-amino-3-methylbutanoyl)piperidin-3-yl]acetamide
CID 54872010
N-[1-[2-(aminomethyl)-3-methylbutanoyl]piperidin-3-yl]acetamide
CID 65227144
N-[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]acetamide
CID 66567589
N-[(3R)-1-[2-(1-aminocyclobutyl)acetyl]piperidin-3-yl]acetamide
CID 124516868
N-[1-(2,2-difluoroacetyl)piperidin-3-yl]acetamide
CID 103515094
N-[1-[2-(4-aminopiperidin-1-yl)acetyl]piperidin-3-yl]acetamide;hydrochloride
CID 119908203
N-[1-(6-amino-2-methylheptanoyl)piperidin-3-yl]acetamide
CID 65292227
N-[(3R)-1-[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]acetyl]piperidin-3-yl]acetamide
CID 100891285

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-methylbutan-2-ylsulfanyl)acetyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[1-[2-(3-methylbutan-2-ylsulfanyl)acetyl]piperidin-3-yl]acetamide (CID 71926391) is N-[1-[2-(3-methylbutan-2-ylsulfanyl)acetyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[2-(3-methylbutan-2-ylsulfanyl)acetyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-[2-(3-methylbutan-2-ylsulfanyl)acetyl]piperidin-3-yl]acetamide is CC(=O)NC1CCCN(C(=O)CSC(C)C(C)C)C1.
What is the InChIKey of N-[1-[2-(3-methylbutan-2-ylsulfanyl)acetyl]piperidin-3-yl]acetamide?
The InChIKey is JYKNVGFOCWLTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-10(2)11(3)19-9-14(18)16-7-5-6-13(8-16)15-12(4)17/h10-11,13H,5-9H2,1-4H3,(H,15,17).
What are the key properties of N-[1-[2-(3-methylbutan-2-ylsulfanyl)acetyl]piperidin-3-yl]acetamide?
N-[1-[2-(3-methylbutan-2-ylsulfanyl)acetyl]piperidin-3-yl]acetamide has a molecular weight of 286.44 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-methylbutan-2-ylsulfanyl)acetyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 71926391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).