N-(2,2-dimethyloxan-4-yl)-2-piperidin-4-ylsulfanylacetamide

C14H26N2O2S — CID 114627965

IUPACN-(2,2-dimethyloxan-4-yl)-2-piperidin-4-ylsulfanylacetamide
SMILESCC1(C)CC(NC(=O)CSC2CCNCC2)CCO1
InChIInChI=1S/C14H26N2O2S/c1-14(2)9-11(5-8-18-14)16-13(17)10-19-12-3-6-15-7-4-12/h11-12,15H,3-10H2,1-2H3,(H,16,17)
InChIKeyFDWRXFZDYSCDMM-UHFFFAOYSA-N
MW286.44 g/mol
LogP1.55
Rot. Bonds4

About N-(2,2-dimethyloxan-4-yl)-2-piperidin-4-ylsulfanylacetamide

N-(2,2-dimethyloxan-4-yl)-2-piperidin-4-ylsulfanylacetamide (PubChem CID 114627965) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-2-piperidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-2-piperidin-4-ylsulfanylacetamide
PubChem CID114627965
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC NameN-(2,2-dimethyloxan-4-yl)-2-piperidin-4-ylsulfanylacetamide
SMILESCC1(C)CC(NC(=O)CSC2CCNCC2)CCO1
InChIInChI=1S/C14H26N2O2S/c1-14(2)9-11(5-8-18-14)16-13(17)10-19-12-3-6-15-7-4-12/h11-12,15H,3-10H2,1-2H3,(H,16,17)
InChIKeyFDWRXFZDYSCDMM-UHFFFAOYSA-N
XLogP1.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-dimethyloxan-4-yl)-3-piperidin-4-yloxypropanamide
CID 83033442
N-(2,2-dimethyloxan-4-yl)butanamide
CID 115563895
N-(3-methyloxan-4-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114240919
N-hydroxy-2-piperidin-4-ylsulfanylacetamide
CID 114627599
1-piperidin-4-ylsulfanylpropan-2-one
CID 19936634
N-(2,2-dimethyloxan-4-yl)-2-methylpyrrolidine-3-carboxamide
CID 83032762
N-(1-butylpiperidin-4-yl)-2-piperidin-4-ylsulfanylacetamide
CID 114626700
N-[(4S)-2,2-dimethyloxan-4-yl]-2-(1-pyrrol-1-ylcyclohexyl)acetamide
CID 97045582
N-(2,2-dimethyloxan-4-yl)-2-(methylamino)propanamide
CID 83033010
N-morpholin-4-yl-2-piperidin-4-ylsulfanylacetamide
CID 114627964
2-piperidin-4-ylsulfanyl-N-propylsulfonylacetamide
CID 103307451
N-(2,2-dimethyloxan-4-yl)-2-(1,2-oxazol-3-yl)acetamide
CID 136517618

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-2-piperidin-4-ylsulfanylacetamide?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-2-piperidin-4-ylsulfanylacetamide (CID 114627965) is N-(2,2-dimethyloxan-4-yl)-2-piperidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(2,2-dimethyloxan-4-yl)-2-piperidin-4-ylsulfanylacetamide?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-2-piperidin-4-ylsulfanylacetamide is CC1(C)CC(NC(=O)CSC2CCNCC2)CCO1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-2-piperidin-4-ylsulfanylacetamide?
The InChIKey is FDWRXFZDYSCDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-14(2)9-11(5-8-18-14)16-13(17)10-19-12-3-6-15-7-4-12/h11-12,15H,3-10H2,1-2H3,(H,16,17).
What are the key properties of N-(2,2-dimethyloxan-4-yl)-2-piperidin-4-ylsulfanylacetamide?
N-(2,2-dimethyloxan-4-yl)-2-piperidin-4-ylsulfanylacetamide has a molecular weight of 286.44 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethyloxan-4-yl)-2-piperidin-4-ylsulfanylacetamide is sourced from PubChem (CID 114627965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).