N-cyclohexyl-2-(1-ethyl-4-oxopyrimidin-2-yl)sulfanylacetamide

C14H21N3O2S — CID 51108112

IUPACN-cyclohexyl-2-(1-ethyl-4-oxopyrimidin-2-yl)sulfanylacetamide
SMILESCCn1ccc(=O)nc1SCC(=O)NC1CCCCC1
InChIInChI=1S/C14H21N3O2S/c1-2-17-9-8-12(18)16-14(17)20-10-13(19)15-11-6-4-3-5-7-11/h8-9,11H,2-7,10H2,1H3,(H,15,19)
InChIKeyNFMXAOZHZLAZQS-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.80
Rot. Bonds5

About N-cyclohexyl-2-(1-ethyl-4-oxopyrimidin-2-yl)sulfanylacetamide

N-cyclohexyl-2-(1-ethyl-4-oxopyrimidin-2-yl)sulfanylacetamide (PubChem CID 51108112) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-cyclohexyl-2-(1-ethyl-4-oxopyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(1-ethyl-4-oxopyrimidin-2-yl)sulfanylacetamide
PubChem CID51108112
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-cyclohexyl-2-(1-ethyl-4-oxopyrimidin-2-yl)sulfanylacetamide
SMILESCCn1ccc(=O)nc1SCC(=O)NC1CCCCC1
InChIInChI=1S/C14H21N3O2S/c1-2-17-9-8-12(18)16-14(17)20-10-13(19)15-11-6-4-3-5-7-11/h8-9,11H,2-7,10H2,1H3,(H,15,19)
InChIKeyNFMXAOZHZLAZQS-UHFFFAOYSA-N
XLogP1.80
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-Cyclohexyl-2-(4-hydroxy-6-methyl-pyrimidin-2-ylsulfanyl)-acetamide
CID 135403542
N-Cyclopentyl-2-(4-hydroxy-pyrimidin-2-ylsulfanyl)-acetamide
CID 860085
1-(2,6-Dimethyl-piperidin-1-yl)-2-(4-hydroxy-pyrimidin-2-ylsulfanyl)-ethanone
CID 3149634
N-butyl-2-(1-cyclopentyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanylacetamide
CID 135439887
2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 135473714
4-amino-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 135505010
2-[(4-amino-6-oxo-1,6-dihydro-2-pyrimidinyl)thio]-N-cyclohexylpropanamide
CID 135485481
4-amino-2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 135490319
N-cyclohexyl-N-ethyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 2360188
N-cyclohexyl-N-methyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 2362539
N-cycloheptyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 2364724
N-cyclooctyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 3635556

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(1-ethyl-4-oxopyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-cyclohexyl-2-(1-ethyl-4-oxopyrimidin-2-yl)sulfanylacetamide (CID 51108112) is N-cyclohexyl-2-(1-ethyl-4-oxopyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(1-ethyl-4-oxopyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-2-(1-ethyl-4-oxopyrimidin-2-yl)sulfanylacetamide is CCn1ccc(=O)nc1SCC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(1-ethyl-4-oxopyrimidin-2-yl)sulfanylacetamide?
The InChIKey is NFMXAOZHZLAZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-2-17-9-8-12(18)16-14(17)20-10-13(19)15-11-6-4-3-5-7-11/h8-9,11H,2-7,10H2,1H3,(H,15,19).
What are the key properties of N-cyclohexyl-2-(1-ethyl-4-oxopyrimidin-2-yl)sulfanylacetamide?
N-cyclohexyl-2-(1-ethyl-4-oxopyrimidin-2-yl)sulfanylacetamide has a molecular weight of 295.41 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(1-ethyl-4-oxopyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 51108112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).