N-(1-cyanocyclohexyl)-2-pyridin-2-ylsulfanylacetamide

C14H17N3OS — CID 8813525

IUPACN-(1-cyanocyclohexyl)-2-pyridin-2-ylsulfanylacetamide
SMILESN#CC1(NC(=O)CSc2ccccn2)CCCCC1
InChIInChI=1S/C14H17N3OS/c15-11-14(7-3-1-4-8-14)17-12(18)10-19-13-6-2-5-9-16-13/h2,5-6,9H,1,3-4,7-8,10H2,(H,17,18)
InChIKeyMPDGMJMCHKBSEF-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.52
Rot. Bonds4

About N-(1-cyanocyclohexyl)-2-pyridin-2-ylsulfanylacetamide

N-(1-cyanocyclohexyl)-2-pyridin-2-ylsulfanylacetamide (PubChem CID 8813525) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-pyridin-2-ylsulfanylacetamide
PubChem CID8813525
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-(1-cyanocyclohexyl)-2-pyridin-2-ylsulfanylacetamide
SMILESN#CC1(NC(=O)CSc2ccccn2)CCCCC1
InChIInChI=1S/C14H17N3OS/c15-11-14(7-3-1-4-8-14)17-12(18)10-19-13-6-2-5-9-16-13/h2,5-6,9H,1,3-4,7-8,10H2,(H,17,18)
InChIKeyMPDGMJMCHKBSEF-UHFFFAOYSA-N
XLogP2.52
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-pyridin-2-ylsulfanylacetamide (CID 8813525) is N-(1-cyanocyclohexyl)-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-pyridin-2-ylsulfanylacetamide is N#CC1(NC(=O)CSc2ccccn2)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is MPDGMJMCHKBSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c15-11-14(7-3-1-4-8-14)17-12(18)10-19-13-6-2-5-9-16-13/h2,5-6,9H,1,3-4,7-8,10H2,(H,17,18).
What are the key properties of N-(1-cyanocyclohexyl)-2-pyridin-2-ylsulfanylacetamide?
N-(1-cyanocyclohexyl)-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 275.38 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 8813525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).