N-[2-(cyclohexen-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide

C14H19N3OS — CID 1442141

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncccn1)NCCC1=CCCCC1
InChIInChI=1S/C14H19N3OS/c18-13(11-19-14-16-8-4-9-17-14)15-10-7-12-5-2-1-3-6-12/h4-5,8-9H,1-3,6-7,10-11H2,(H,15,18)
InChIKeyNLHIXRPLVJGKCH-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.58
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide

N-[2-(cyclohexen-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide (PubChem CID 1442141) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
PubChem CID1442141
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
SMILESO=C(CSc1ncccn1)NCCC1=CCCCC1
InChIInChI=1S/C14H19N3OS/c18-13(11-19-14-16-8-4-9-17-14)15-10-7-12-5-2-1-3-6-12/h4-5,8-9H,1-3,6-7,10-11H2,(H,15,18)
InChIKeyNLHIXRPLVJGKCH-UHFFFAOYSA-N
XLogP2.58
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[2-(cyclohexen-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-dimethylcyclohexyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 16303703
N-cyclopentyl-2-pyrimidin-2-ylsulfanylpropanamide
CID 16318744
N-[2-(cyclohexen-1-yl)ethyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide
CID 4816593
N-[2-(cyclohexen-1-yl)ethyl]-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 2708665
N-cycloheptyl-2-[(4-methylpyrimidin-2-yl)sulfanyl]acetamide
CID 6469527
N-cyclohexyl-2-(pyrimidin-2-ylsulfanyl)acetamide
CID 711869
N-cyclopentyl-2-(pyrimidin-2-ylsulfanyl)acetamide
CID 4618357
N-cycloheptyl-2-(pyrimidin-2-ylsulfanyl)acetamide
CID 1084872
N-(cyclohexylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 2634383
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(2-pyrimidyl)piperazino]acetamide;hydrochloride
CID 647761
2-[4-(Cyclohexen-1-yl)butylsulfanyl]pyrimidine
CID 166448288
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetamide
CID 33587961

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide (CID 1442141) is N-[2-(cyclohexen-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide is O=C(CSc1ncccn1)NCCC1=CCCCC1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide?
The InChIKey is NLHIXRPLVJGKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c18-13(11-19-14-16-8-4-9-17-14)15-10-7-12-5-2-1-3-6-12/h4-5,8-9H,1-3,6-7,10-11H2,(H,15,18).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide?
N-[2-(cyclohexen-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide has a molecular weight of 277.39 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide is sourced from PubChem (CID 1442141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).