2-(azetidin-3-ylmethylsulfanyl)-N-[4-(cyanomethyl)phenyl]acetamide

C14H17N3OS — CID 66290955

IUPAC2-(azetidin-3-ylmethylsulfanyl)-N-[4-(cyanomethyl)phenyl]acetamide
SMILESN#CCc1ccc(NC(=O)CSCC2CNC2)cc1
InChIInChI=1S/C14H17N3OS/c15-6-5-11-1-3-13(4-2-11)17-14(18)10-19-9-12-7-16-8-12/h1-4,12,16H,5,7-10H2,(H,17,18)
InChIKeyFLFARGOOVISZHQ-UHFFFAOYSA-N
MW275.38 g/mol
LogP1.64
Rot. Bonds6

About 2-(azetidin-3-ylmethylsulfanyl)-N-[4-(cyanomethyl)phenyl]acetamide

2-(azetidin-3-ylmethylsulfanyl)-N-[4-(cyanomethyl)phenyl]acetamide (PubChem CID 66290955) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethylsulfanyl)-N-[4-(cyanomethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(azetidin-3-ylmethylsulfanyl)-N-[4-(cyanomethyl)phenyl]acetamide
PubChem CID66290955
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2-(azetidin-3-ylmethylsulfanyl)-N-[4-(cyanomethyl)phenyl]acetamide
SMILESN#CCc1ccc(NC(=O)CSCC2CNC2)cc1
InChIInChI=1S/C14H17N3OS/c15-6-5-11-1-3-13(4-2-11)17-14(18)10-19-9-12-7-16-8-12/h1-4,12,16H,5,7-10H2,(H,17,18)
InChIKeyFLFARGOOVISZHQ-UHFFFAOYSA-N
XLogP1.64
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]sulfanylacetate
CID 6930186
N-[4-(cyanomethyl)phenyl]-2-piperidin-3-ylacetamide
CID 62674886
2-(azetidin-3-ylmethylsulfanyl)-N-(3,4-difluorophenyl)acetamide
CID 66289509
N-[4-(cyanomethyl)phenyl]-2-(2,3-dihydroxypropylsulfanyl)acetamide
CID 79682889
3-[2-[4-(cyanomethyl)anilino]-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 64915481
2-cyano-N-[4-(cyanomethyl)phenyl]acetamide
CID 10655606
N-[4-(cyanomethyl)phenyl]-2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanylacetamide
CID 9260610
N-[4-(cyanomethyl)phenyl]-2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetamide
CID 79410718
N-[4-(cyanomethyl)phenyl]-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82755602
2-(4-chlorophenyl)sulfanyl-N-[4-(cyanomethyl)phenyl]acetamide
CID 7603938
N-[4-(cyanomethyl)phenyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 62020265
N-[4-(cyanomethyl)phenyl]-2-piperidin-1-ylacetamide
CID 9032808

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethylsulfanyl)-N-[4-(cyanomethyl)phenyl]acetamide?
The IUPAC name of 2-(azetidin-3-ylmethylsulfanyl)-N-[4-(cyanomethyl)phenyl]acetamide (CID 66290955) is 2-(azetidin-3-ylmethylsulfanyl)-N-[4-(cyanomethyl)phenyl]acetamide.
What is the SMILES notation for 2-(azetidin-3-ylmethylsulfanyl)-N-[4-(cyanomethyl)phenyl]acetamide?
The canonical SMILES for 2-(azetidin-3-ylmethylsulfanyl)-N-[4-(cyanomethyl)phenyl]acetamide is N#CCc1ccc(NC(=O)CSCC2CNC2)cc1.
What is the InChIKey of 2-(azetidin-3-ylmethylsulfanyl)-N-[4-(cyanomethyl)phenyl]acetamide?
The InChIKey is FLFARGOOVISZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c15-6-5-11-1-3-13(4-2-11)17-14(18)10-19-9-12-7-16-8-12/h1-4,12,16H,5,7-10H2,(H,17,18).
What are the key properties of 2-(azetidin-3-ylmethylsulfanyl)-N-[4-(cyanomethyl)phenyl]acetamide?
2-(azetidin-3-ylmethylsulfanyl)-N-[4-(cyanomethyl)phenyl]acetamide has a molecular weight of 275.38 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylmethylsulfanyl)-N-[4-(cyanomethyl)phenyl]acetamide is sourced from PubChem (CID 66290955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).