N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-2-methylsulfanylacetamide

C21H32N2O2S — CID 23723629

IUPACN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-2-methylsulfanylacetamide
SMILESCOCCN(CC1CCCN(C2Cc3ccccc3C2)C1)C(=O)CSC
InChIInChI=1S/C21H32N2O2S/c1-25-11-10-23(21(24)16-26-2)15-17-6-5-9-22(14-17)20-12-18-7-3-4-8-19(18)13-20/h3-4,7-8,17,20H,5-6,9-16H2,1-2H3
InChIKeyKTAYDEPLQBDCNT-UHFFFAOYSA-N
MW376.57 g/mol
LogP2.70
Rot. Bonds8

About N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-2-methylsulfanylacetamide

N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-2-methylsulfanylacetamide (PubChem CID 23723629) has the molecular formula C21H32N2O2S and a molecular weight of 376.57 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-2-methylsulfanylacetamide.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-2-methylsulfanylacetamide
PubChem CID23723629
Molecular FormulaC21H32N2O2S
Molecular Weight376.57 g/mol
Exact Mass376.22
IUPAC NameN-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-2-methylsulfanylacetamide
SMILESCOCCN(CC1CCCN(C2Cc3ccccc3C2)C1)C(=O)CSC
InChIInChI=1S/C21H32N2O2S/c1-25-11-10-23(21(24)16-26-2)15-17-6-5-9-22(14-17)20-12-18-7-3-4-8-19(18)13-20/h3-4,7-8,17,20H,5-6,9-16H2,1-2H3
InChIKeyKTAYDEPLQBDCNT-UHFFFAOYSA-N
XLogP2.70
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.57
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-(methylthio)acetamide
CID 23723347
N-{[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl}-4,4,4-trifluoro-N-(2-methoxyethyl)butanamide
CID 23723655
N-{[1-(2,3-dihydro-1H-inden-2-yl)-3-piperidinyl]methyl}-N-(2-methoxyethyl)-4-oxopentanamide
CID 23723443
N-{[1-(2,3-dihydro-1H-inden-2-yl)-3-piperidinyl]methyl}-N-(2-methoxyethyl)-3-(methylthio)propanamide
CID 23723765
N-{[1-(2,3-dihydro-1H-inden-2-yl)-3-piperidinyl]methyl}-N-(2-methoxyethyl)succinamide
CID 23723809
N-{[1-(2,3-Dihydro-1H-inden-2-YL)piperidin-3-YL]methyl}-2-methoxy-N-(2-methoxyethyl)acetamide
CID 72864772
N-{[1-(2,3-Dihydro-1H-inden-2-YL)piperidin-3-YL]methyl}-2-hydroxy-N-(2-methoxyethyl)acetamide
CID 72903729
N~2~-{[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl}-N~2~-(2-methoxyethyl)glycinamide
CID 72908178
1-[(1R,5S)-3-(2,3-dihydro-1H-inden-2-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-2-methylsulfanylethanone
CID 155565264
2-methylpropyl N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-methylcarbamate
CID 192296
(1S*,5R*)-3-(2,3-dihydro-1H-inden-2-yl)-6-[(methylthio)acetyl]-3,6-diazabicyclo[3.2.2]nonane
CID 70758751
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 97273961

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-2-methylsulfanylacetamide?
The IUPAC name of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-2-methylsulfanylacetamide (CID 23723629) is N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-2-methylsulfanylacetamide.
What is the SMILES notation for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-2-methylsulfanylacetamide?
The canonical SMILES for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-2-methylsulfanylacetamide is COCCN(CC1CCCN(C2Cc3ccccc3C2)C1)C(=O)CSC.
What is the InChIKey of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-2-methylsulfanylacetamide?
The InChIKey is KTAYDEPLQBDCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2S/c1-25-11-10-23(21(24)16-26-2)15-17-6-5-9-22(14-17)20-12-18-7-3-4-8-19(18)13-20/h3-4,7-8,17,20H,5-6,9-16H2,1-2H3.
What are the key properties of N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-2-methylsulfanylacetamide?
N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-2-methylsulfanylacetamide has a molecular weight of 376.57 g/mol, XLogP of 2.70, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl]-N-(2-methoxyethyl)-2-methylsulfanylacetamide is sourced from PubChem (CID 23723629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).