2-cyclopentylsulfanyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]acetamide

C16H30N2O2S — CID 71806108

IUPAC2-cyclopentylsulfanyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]acetamide
SMILESCOCCN1CCC(CNC(=O)CSC2CCCC2)CC1
InChIInChI=1S/C16H30N2O2S/c1-20-11-10-18-8-6-14(7-9-18)12-17-16(19)13-21-15-4-2-3-5-15/h14-15H,2-13H2,1H3,(H,17,19)
InChIKeyHUZZPTKLFOYGCF-UHFFFAOYSA-N
MW314.50 g/mol
LogP2.14
Rot. Bonds8

About 2-cyclopentylsulfanyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]acetamide

2-cyclopentylsulfanyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]acetamide (PubChem CID 71806108) has the molecular formula C16H30N2O2S and a molecular weight of 314.50 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]acetamide
PubChem CID71806108
Molecular FormulaC16H30N2O2S
Molecular Weight314.50 g/mol
Exact Mass314.20
IUPAC Name2-cyclopentylsulfanyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]acetamide
SMILESCOCCN1CCC(CNC(=O)CSC2CCCC2)CC1
InChIInChI=1S/C16H30N2O2S/c1-20-11-10-18-8-6-14(7-9-18)12-17-16(19)13-21-15-4-2-3-5-15/h14-15H,2-13H2,1H3,(H,17,19)
InChIKeyHUZZPTKLFOYGCF-UHFFFAOYSA-N
XLogP2.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 4-((2-(cyclopentylthio)acetamido)methyl)piperidine-1-carboxylate
CID 71806291
N-(2-methoxyethyl)-3-{1-[3-(methylthio)propyl]-4-piperidinyl}propanamide
CID 25310534
N-(2-methoxyethyl)-3-[1-(thiolan-3-yl)piperidin-4-yl]propanamide
CID 45192024
2-[5-[4-(2-methoxyethyl)piperazin-1-yl]-2-methyl-5-oxopentan-2-yl]sulfanyl-N-methylacetamide
CID 90196640
3-(2-amino-2-oxoethyl)sulfanyl-N-[(2S)-3-ethyl-2-morpholin-4-ylpentyl]propanamide
CID 30830141
3-(2-amino-2-oxoethyl)sulfanyl-N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]propanamide
CID 30830142
3-(2-amino-2-oxoethyl)sulfanyl-N-(3-ethyl-2-morpholin-4-ylpentyl)propanamide
CID 42951640
N-cyclopentyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 52141356
1-acetyl-N-(2-cyclopentylsulfanylethyl)piperidine-4-carboxamide
CID 53514533
N-(2-methoxyethyl)-N-(thiolan-3-yl)piperidine-4-carboxamide
CID 54871367
N-(2-methoxyethyl)-2-piperidin-4-yl-N-(thiolan-3-yl)acetamide
CID 54910351
N-(3-cyclopentylpropyl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 60419876

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]acetamide (CID 71806108) is 2-cyclopentylsulfanyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]acetamide is COCCN1CCC(CNC(=O)CSC2CCCC2)CC1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is HUZZPTKLFOYGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2S/c1-20-11-10-18-8-6-14(7-9-18)12-17-16(19)13-21-15-4-2-3-5-15/h14-15H,2-13H2,1H3,(H,17,19).
What are the key properties of 2-cyclopentylsulfanyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]acetamide?
2-cyclopentylsulfanyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 314.50 g/mol, XLogP of 2.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 71806108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).