2-[(5-amino-2-pyridinyl)sulfanyl]-N-(1-cyanocyclohexyl)acetamide

C14H18N4OS — CID 43301358

IUPAC2-[(5-amino-2-pyridinyl)sulfanyl]-N-(1-cyanocyclohexyl)acetamide
SMILESN#CC1(NC(=O)CSc2ccc(N)cn2)CCCCC1
InChIInChI=1S/C14H18N4OS/c15-10-14(6-2-1-3-7-14)18-12(19)9-20-13-5-4-11(16)8-17-13/h4-5,8H,1-3,6-7,9,16H2,(H,18,19)
InChIKeyJYYOZBCLVUMHRG-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.10
Rot. Bonds4

About 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(1-cyanocyclohexyl)acetamide

2-[(5-amino-2-pyridinyl)sulfanyl]-N-(1-cyanocyclohexyl)acetamide (PubChem CID 43301358) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(1-cyanocyclohexyl)acetamide.

Molecular Properties

Compound Name2-[(5-amino-2-pyridinyl)sulfanyl]-N-(1-cyanocyclohexyl)acetamide
PubChem CID43301358
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name2-[(5-amino-2-pyridinyl)sulfanyl]-N-(1-cyanocyclohexyl)acetamide
SMILESN#CC1(NC(=O)CSc2ccc(N)cn2)CCCCC1
InChIInChI=1S/C14H18N4OS/c15-10-14(6-2-1-3-7-14)18-12(19)9-20-13-5-4-11(16)8-17-13/h4-5,8H,1-3,6-7,9,16H2,(H,18,19)
InChIKeyJYYOZBCLVUMHRG-UHFFFAOYSA-N
XLogP2.10
TPSA91.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-amino-3-pyridinyl)sulfanyl]-N-(1-cyanocyclohexyl)acetamide
CID 43302044
N-(1-cyanocycloheptyl)-2-phenylsulfanylacetamide
CID 47149296
2-[(5-amino-2-pyridinyl)sulfanyl]-N-[4-(cyanomethyl)phenyl]acetamide
CID 43300974
2-(2-amino-6-chlorophenyl)sulfanyl-N-(1-cyanocyclopentyl)acetamide
CID 43304615
2-(4-amino-3-methylphenyl)sulfanyl-N-(1-cyanocyclopentyl)acetamide
CID 79148726
N-(1-cyanocyclopentyl)-2-(4-cyanophenyl)sulfanylacetamide
CID 51085302
N-(1-cyanocyclohexyl)-2-quinazolin-4-ylsulfanylacetamide
CID 9324842
N-(1-cyanocyclohexyl)-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 7468590
N-(1-cyanocyclohexyl)-2-[(3-nitro-4-pyridinyl)sulfanyl]acetamide
CID 47083666
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(1-cyano-1-cyclopropylethyl)acetamide
CID 43301359
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(2-cyano-3-methylbutan-2-yl)acetamide
CID 43301360
N-(1-cyanocycloheptyl)-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
CID 55539110

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(1-cyanocyclohexyl)acetamide?
The IUPAC name of 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(1-cyanocyclohexyl)acetamide (CID 43301358) is 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(1-cyanocyclohexyl)acetamide.
What is the SMILES notation for 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(1-cyanocyclohexyl)acetamide?
The canonical SMILES for 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(1-cyanocyclohexyl)acetamide is N#CC1(NC(=O)CSc2ccc(N)cn2)CCCCC1.
What is the InChIKey of 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(1-cyanocyclohexyl)acetamide?
The InChIKey is JYYOZBCLVUMHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c15-10-14(6-2-1-3-7-14)18-12(19)9-20-13-5-4-11(16)8-17-13/h4-5,8H,1-3,6-7,9,16H2,(H,18,19).
What are the key properties of 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(1-cyanocyclohexyl)acetamide?
2-[(5-amino-2-pyridinyl)sulfanyl]-N-(1-cyanocyclohexyl)acetamide has a molecular weight of 290.39 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-2-pyridinyl)sulfanyl]-N-(1-cyanocyclohexyl)acetamide is sourced from PubChem (CID 43301358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).