N-(1-methoxy-3-methylbutan-2-yl)-2-piperidin-4-ylsulfanylacetamide

C13H26N2O2S — CID 114627675

IUPACN-(1-methoxy-3-methylbutan-2-yl)-2-piperidin-4-ylsulfanylacetamide
SMILESCOCC(NC(=O)CSC1CCNCC1)C(C)C
InChIInChI=1S/C13H26N2O2S/c1-10(2)12(8-17-3)15-13(16)9-18-11-4-6-14-7-5-11/h10-12,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyQUJDLTZBIAGGKU-UHFFFAOYSA-N
MW274.43 g/mol
LogP1.26
Rot. Bonds7

About N-(1-methoxy-3-methylbutan-2-yl)-2-piperidin-4-ylsulfanylacetamide

N-(1-methoxy-3-methylbutan-2-yl)-2-piperidin-4-ylsulfanylacetamide (PubChem CID 114627675) has the molecular formula C13H26N2O2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-(1-methoxy-3-methylbutan-2-yl)-2-piperidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(1-methoxy-3-methylbutan-2-yl)-2-piperidin-4-ylsulfanylacetamide
PubChem CID114627675
Molecular FormulaC13H26N2O2S
Molecular Weight274.43 g/mol
Exact Mass274.17
IUPAC NameN-(1-methoxy-3-methylbutan-2-yl)-2-piperidin-4-ylsulfanylacetamide
SMILESCOCC(NC(=O)CSC1CCNCC1)C(C)C
InChIInChI=1S/C13H26N2O2S/c1-10(2)12(8-17-3)15-13(16)9-18-11-4-6-14-7-5-11/h10-12,14H,4-9H2,1-3H3,(H,15,16)
InChIKeyQUJDLTZBIAGGKU-UHFFFAOYSA-N
XLogP1.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-3-methyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]butanoate
CID 104940371
2-(azetidin-3-yl)-N-(1-methoxy-3-methylbutan-2-yl)acetamide
CID 65049010
N-[(2S)-1-hydroxypropan-2-yl]-2-piperidin-4-ylsulfanylacetamide
CID 107219108
N-(1-hydroxypropan-2-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114626594
N-(1-methoxy-3-methylbutan-2-yl)-2-piperazin-1-ylacetamide
CID 65049341
methyl 4-methyl-2-[(2-piperidin-4-ylsulfanylacetyl)amino]pentanoate
CID 114626748
N-[1-(dimethylamino)propan-2-yl]-2-piperidin-4-ylsulfanylacetamide
CID 114627957
N-(dicyclopropylmethyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627232
N-pent-4-en-2-yl-2-piperidin-4-ylsulfanylacetamide
CID 114628059
N-hydroxy-2-piperidin-4-ylsulfanylacetamide
CID 114627599
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114627353
2-methyl-6-[(2-piperidin-4-ylsulfanylacetyl)amino]heptanoic acid
CID 114627693

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-2-piperidin-4-ylsulfanylacetamide?
The IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-2-piperidin-4-ylsulfanylacetamide (CID 114627675) is N-(1-methoxy-3-methylbutan-2-yl)-2-piperidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(1-methoxy-3-methylbutan-2-yl)-2-piperidin-4-ylsulfanylacetamide?
The canonical SMILES for N-(1-methoxy-3-methylbutan-2-yl)-2-piperidin-4-ylsulfanylacetamide is COCC(NC(=O)CSC1CCNCC1)C(C)C.
What is the InChIKey of N-(1-methoxy-3-methylbutan-2-yl)-2-piperidin-4-ylsulfanylacetamide?
The InChIKey is QUJDLTZBIAGGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2S/c1-10(2)12(8-17-3)15-13(16)9-18-11-4-6-14-7-5-11/h10-12,14H,4-9H2,1-3H3,(H,15,16).
What are the key properties of N-(1-methoxy-3-methylbutan-2-yl)-2-piperidin-4-ylsulfanylacetamide?
N-(1-methoxy-3-methylbutan-2-yl)-2-piperidin-4-ylsulfanylacetamide has a molecular weight of 274.43 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-3-methylbutan-2-yl)-2-piperidin-4-ylsulfanylacetamide is sourced from PubChem (CID 114627675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).