N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-piperidin-4-ylsulfanylacetamide

C14H28N2O3S — CID 114627353

IUPACN-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-piperidin-4-ylsulfanylacetamide
SMILESCOCCN(C(=O)CSC1CCNCC1)C(C)COC
InChIInChI=1S/C14H28N2O3S/c1-12(10-19-3)16(8-9-18-2)14(17)11-20-13-4-6-15-7-5-13/h12-13,15H,4-11H2,1-3H3
InChIKeyFAASUAQRMCAKIM-UHFFFAOYSA-N
MW304.46 g/mol
LogP0.98
Rot. Bonds9

About N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-piperidin-4-ylsulfanylacetamide

N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-piperidin-4-ylsulfanylacetamide (PubChem CID 114627353) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-piperidin-4-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-piperidin-4-ylsulfanylacetamide
PubChem CID114627353
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC NameN-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-piperidin-4-ylsulfanylacetamide
SMILESCOCCN(C(=O)CSC1CCNCC1)C(C)COC
InChIInChI=1S/C14H28N2O3S/c1-12(10-19-3)16(8-9-18-2)14(17)11-20-13-4-6-15-7-5-13/h12-13,15H,4-11H2,1-3H3
InChIKeyFAASUAQRMCAKIM-UHFFFAOYSA-N
XLogP0.98
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-piperidin-4-ylsulfanylacetamide?
The IUPAC name of N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-piperidin-4-ylsulfanylacetamide (CID 114627353) is N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-piperidin-4-ylsulfanylacetamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-piperidin-4-ylsulfanylacetamide?
The canonical SMILES for N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-piperidin-4-ylsulfanylacetamide is COCCN(C(=O)CSC1CCNCC1)C(C)COC.
What is the InChIKey of N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-piperidin-4-ylsulfanylacetamide?
The InChIKey is FAASUAQRMCAKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-12(10-19-3)16(8-9-18-2)14(17)11-20-13-4-6-15-7-5-13/h12-13,15H,4-11H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-piperidin-4-ylsulfanylacetamide?
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-piperidin-4-ylsulfanylacetamide has a molecular weight of 304.46 g/mol, XLogP of 0.98, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-piperidin-4-ylsulfanylacetamide is sourced from PubChem (CID 114627353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).