N-(1-cyanocyclopentyl)-2-pyrimidin-2-ylsulfanylacetamide

C12H14N4OS — CID 4825115

IUPACN-(1-cyanocyclopentyl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESN#CC1(NC(=O)CSc2ncccn2)CCCC1
InChIInChI=1S/C12H14N4OS/c13-9-12(4-1-2-5-12)16-10(17)8-18-11-14-6-3-7-15-11/h3,6-7H,1-2,4-5,8H2,(H,16,17)
InChIKeyMINJXENTABPTBY-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.52
Rot. Bonds4

About N-(1-cyanocyclopentyl)-2-pyrimidin-2-ylsulfanylacetamide

N-(1-cyanocyclopentyl)-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 4825115) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID4825115
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC NameN-(1-cyanocyclopentyl)-2-pyrimidin-2-ylsulfanylacetamide
SMILESN#CC1(NC(=O)CSc2ncccn2)CCCC1
InChIInChI=1S/C12H14N4OS/c13-9-12(4-1-2-5-12)16-10(17)8-18-11-14-6-3-7-15-11/h3,6-7H,1-2,4-5,8H2,(H,16,17)
InChIKeyMINJXENTABPTBY-UHFFFAOYSA-N
XLogP1.52
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-(1-cyanocyclopentyl)-2-pyrimidin-2-ylsulfanylacetamide (CID 4825115) is N-(1-cyanocyclopentyl)-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-2-pyrimidin-2-ylsulfanylacetamide is N#CC1(NC(=O)CSc2ncccn2)CCCC1.
What is the InChIKey of N-(1-cyanocyclopentyl)-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is MINJXENTABPTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c13-9-12(4-1-2-5-12)16-10(17)8-18-11-14-6-3-7-15-11/h3,6-7H,1-2,4-5,8H2,(H,16,17).
What are the key properties of N-(1-cyanocyclopentyl)-2-pyrimidin-2-ylsulfanylacetamide?
N-(1-cyanocyclopentyl)-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 262.34 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 4825115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).