N-cyclohexyl-2-pyrimidin-2-ylsulfanylacetamide

C12H17N3OS — CID 711869

IUPACN-cyclohexyl-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncccn1)NC1CCCCC1
InChIInChI=1S/C12H17N3OS/c16-11(15-10-5-2-1-3-6-10)9-17-12-13-7-4-8-14-12/h4,7-8,10H,1-3,5-6,9H2,(H,15,16)
InChIKeyHNPDWUAPEJXIHG-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.02
Rot. Bonds4

About N-cyclohexyl-2-pyrimidin-2-ylsulfanylacetamide

N-cyclohexyl-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 711869) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is N-cyclohexyl-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID711869
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC NameN-cyclohexyl-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncccn1)NC1CCCCC1
InChIInChI=1S/C12H17N3OS/c16-11(15-10-5-2-1-3-6-10)9-17-12-13-7-4-8-14-12/h4,7-8,10H,1-3,5-6,9H2,(H,15,16)
InChIKeyHNPDWUAPEJXIHG-UHFFFAOYSA-N
XLogP2.02
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-cyclohexyl-2-pyrimidin-2-ylsulfanylacetamide (CID 711869) is N-cyclohexyl-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-cyclohexyl-2-pyrimidin-2-ylsulfanylacetamide is O=C(CSc1ncccn1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is HNPDWUAPEJXIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c16-11(15-10-5-2-1-3-6-10)9-17-12-13-7-4-8-14-12/h4,7-8,10H,1-3,5-6,9H2,(H,15,16).
What are the key properties of N-cyclohexyl-2-pyrimidin-2-ylsulfanylacetamide?
N-cyclohexyl-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 251.35 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 711869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).