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

C14H26N2O3S2 — CID 71806285

IUPAC2-cyclopentylsulfanyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]acetamide
SMILESCS(=O)(=O)N1CCC(CNC(=O)CSC2CCCC2)CC1
InChIInChI=1S/C14H26N2O3S2/c1-21(18,19)16-8-6-12(7-9-16)10-15-14(17)11-20-13-4-2-3-5-13/h12-13H,2-11H2,1H3,(H,15,17)
InChIKeyJPKHOAPPUORDJN-UHFFFAOYSA-N
MW334.51 g/mol
LogP1.45
Rot. Bonds6

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

2-cyclopentylsulfanyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]acetamide (PubChem CID 71806285) has the molecular formula C14H26N2O3S2 and a molecular weight of 334.51 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]acetamide
PubChem CID71806285
Molecular FormulaC14H26N2O3S2
Molecular Weight334.51 g/mol
Exact Mass334.14
IUPAC Name2-cyclopentylsulfanyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]acetamide
SMILESCS(=O)(=O)N1CCC(CNC(=O)CSC2CCCC2)CC1
InChIInChI=1S/C14H26N2O3S2/c1-21(18,19)16-8-6-12(7-9-16)10-15-14(17)11-20-13-4-2-3-5-13/h12-13H,2-11H2,1H3,(H,15,17)
InChIKeyJPKHOAPPUORDJN-UHFFFAOYSA-N
XLogP1.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopentylthio)-N-((1-(cyclopropylsulfonyl)piperidin-4-yl)methyl)acetamide
CID 71806319
2-((1-(N,N-dimethylsulfamoyl)piperidin-4-yl)sulfonyl)-N-methylacetamide
CID 71809156
4-butylsulfonyl-N-methylpiperidine-4-carboxamide
CID 60102904
N-(3-methylsulfonylpropyl)piperidine-4-carboxamide
CID 61037734
N-[(1,1-dioxothian-4-yl)methyl]acetamide
CID 123547198
N-[(1,1-dioxothian-4-yl)methyl]propanamide
CID 130249347
N-[(1,1-dioxothian-4-yl)methyl]pentanamide
CID 130272188
2-[4-(aminomethyl)piperidin-1-yl]sulfonyl-N-methylacetamide
CID 130293560
N-[(1,1-dioxothian-3-yl)methyl]acetamide;ethane
CID 145259752
N-[(1,1-dioxothian-4-yl)methyl]-2-methylpropanamide
CID 172188821
4-(Propylsulfonylmethyl)piperidin-2-one
CID 173160833
N-(5-butylsulfonyl-3-methylpentyl)acetamide
CID 174365296

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]acetamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]acetamide (CID 71806285) is 2-cyclopentylsulfanyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]acetamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]acetamide is CS(=O)(=O)N1CCC(CNC(=O)CSC2CCCC2)CC1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]acetamide?
The InChIKey is JPKHOAPPUORDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3S2/c1-21(18,19)16-8-6-12(7-9-16)10-15-14(17)11-20-13-4-2-3-5-13/h12-13H,2-11H2,1H3,(H,15,17).
What are the key properties of 2-cyclopentylsulfanyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]acetamide?
2-cyclopentylsulfanyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]acetamide has a molecular weight of 334.51 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]acetamide is sourced from PubChem (CID 71806285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).