N-cycloheptyl-2-pyrimidin-2-ylsulfanylacetamide

C13H19N3OS — CID 1084872

IUPACN-cycloheptyl-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncccn1)NC1CCCCCC1
InChIInChI=1S/C13H19N3OS/c17-12(10-18-13-14-8-5-9-15-13)16-11-6-3-1-2-4-7-11/h5,8-9,11H,1-4,6-7,10H2,(H,16,17)
InChIKeyBHEBZCBJGDGVRH-UHFFFAOYSA-N
MW265.38 g/mol
LogP2.41
Rot. Bonds4

About N-cycloheptyl-2-pyrimidin-2-ylsulfanylacetamide

N-cycloheptyl-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 1084872) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is N-cycloheptyl-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID1084872
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC NameN-cycloheptyl-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncccn1)NC1CCCCCC1
InChIInChI=1S/C13H19N3OS/c17-12(10-18-13-14-8-5-9-15-13)16-11-6-3-1-2-4-7-11/h5,8-9,11H,1-4,6-7,10H2,(H,16,17)
InChIKeyBHEBZCBJGDGVRH-UHFFFAOYSA-N
XLogP2.41
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Pyrimidin-2-ylthio)-1-(pyrrolidin-1-yl)ethanone
CID 1084805
N-[2-(cyclohexen-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 1442141
N-(tert-butylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 2403031
N-(propan-2-ylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 3691663
N-(2,3-dimethylcyclohexyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 16303703
N-cyclopentyl-2-pyrimidin-2-ylsulfanylpropanamide
CID 16318744
(Pyrimidin-2-ylsulfanyl)-acetic acid cycloheptylidene-hydrazide
CID 694126
1-(Azepan-1-yl)-2-pyrimidin-2-ylsulfanylethanone
CID 2436244
N-(3-methylbutylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 2474912
N-cycloheptyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
CID 6469527
N-(1,1-dioxothiolan-3-yl)-2-pyrimidin-2-ylsulfanylacetamide
CID 11947660
N-(cyclopentylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 2628835

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-cycloheptyl-2-pyrimidin-2-ylsulfanylacetamide (CID 1084872) is N-cycloheptyl-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-cycloheptyl-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-cycloheptyl-2-pyrimidin-2-ylsulfanylacetamide is O=C(CSc1ncccn1)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is BHEBZCBJGDGVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c17-12(10-18-13-14-8-5-9-15-13)16-11-6-3-1-2-4-7-11/h5,8-9,11H,1-4,6-7,10H2,(H,16,17).
What are the key properties of N-cycloheptyl-2-pyrimidin-2-ylsulfanylacetamide?
N-cycloheptyl-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 265.38 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 1084872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).