2-(azetidin-3-ylmethylsulfanyl)-N-(1-cyanocyclopentyl)acetamide

C12H19N3OS — CID 66290522

IUPAC2-(azetidin-3-ylmethylsulfanyl)-N-(1-cyanocyclopentyl)acetamide
SMILESN#CC1(NC(=O)CSCC2CNC2)CCCC1
InChIInChI=1S/C12H19N3OS/c13-9-12(3-1-2-4-12)15-11(16)8-17-7-10-5-14-6-10/h10,14H,1-8H2,(H,15,16)
InChIKeyLDSGZEQWYUVANS-UHFFFAOYSA-N
MW253.37 g/mol
LogP0.89
Rot. Bonds5

About 2-(azetidin-3-ylmethylsulfanyl)-N-(1-cyanocyclopentyl)acetamide

2-(azetidin-3-ylmethylsulfanyl)-N-(1-cyanocyclopentyl)acetamide (PubChem CID 66290522) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethylsulfanyl)-N-(1-cyanocyclopentyl)acetamide.

Molecular Properties

Compound Name2-(azetidin-3-ylmethylsulfanyl)-N-(1-cyanocyclopentyl)acetamide
PubChem CID66290522
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-(azetidin-3-ylmethylsulfanyl)-N-(1-cyanocyclopentyl)acetamide
SMILESN#CC1(NC(=O)CSCC2CNC2)CCCC1
InChIInChI=1S/C12H19N3OS/c13-9-12(3-1-2-4-12)15-11(16)8-17-7-10-5-14-6-10/h10,14H,1-8H2,(H,15,16)
InChIKeyLDSGZEQWYUVANS-UHFFFAOYSA-N
XLogP0.89
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyanocyclopentyl)-2-(2-hydroxyethylsulfanyl)acetamide
CID 43392467
2-(3-aminopropylsulfanyl)-N-(1-cyanocyclopentyl)acetamide
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2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-N-(1-cyanocyclohexyl)acetamide
CID 60917389
2-(3-aminobutylsulfanyl)-N-(1-cyanocyclohexyl)acetamide
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N-(1-cyanocyclopentyl)propanamide
CID 55029198
N-(1-cyanocyclopentyl)-2-methoxyacetamide
CID 60724698
N-(1-cyanocyclopentyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82755298
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] N'-aminocarbamimidothioate
CID 77060049
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CID 43090468
2-bromo-N-(1-cyanocycloheptyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethylsulfanyl)-N-(1-cyanocyclopentyl)acetamide?
The IUPAC name of 2-(azetidin-3-ylmethylsulfanyl)-N-(1-cyanocyclopentyl)acetamide (CID 66290522) is 2-(azetidin-3-ylmethylsulfanyl)-N-(1-cyanocyclopentyl)acetamide.
What is the SMILES notation for 2-(azetidin-3-ylmethylsulfanyl)-N-(1-cyanocyclopentyl)acetamide?
The canonical SMILES for 2-(azetidin-3-ylmethylsulfanyl)-N-(1-cyanocyclopentyl)acetamide is N#CC1(NC(=O)CSCC2CNC2)CCCC1.
What is the InChIKey of 2-(azetidin-3-ylmethylsulfanyl)-N-(1-cyanocyclopentyl)acetamide?
The InChIKey is LDSGZEQWYUVANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c13-9-12(3-1-2-4-12)15-11(16)8-17-7-10-5-14-6-10/h10,14H,1-8H2,(H,15,16).
What are the key properties of 2-(azetidin-3-ylmethylsulfanyl)-N-(1-cyanocyclopentyl)acetamide?
2-(azetidin-3-ylmethylsulfanyl)-N-(1-cyanocyclopentyl)acetamide has a molecular weight of 253.37 g/mol, XLogP of 0.89, 5 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-(1-cyanocyclopentyl)acetamide is sourced from PubChem (CID 66290522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).