N-cycloheptyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

C14H21N3O2S — CID 135527681

IUPACN-cycloheptyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCc1cc(=O)[nH]c(SCC(=O)NC2CCCCCC2)n1
InChIInChI=1S/C14H21N3O2S/c1-10-8-12(18)17-14(15-10)20-9-13(19)16-11-6-4-2-3-5-7-11/h8,11H,2-7,9H2,1H3,(H,16,19)(H,15,17,18)
InChIKeyPAXLRHJFKIAZBV-UHFFFAOYSA-N
MW295.41 g/mol
LogP2.01
Rot. Bonds4

About N-cycloheptyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

N-cycloheptyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 135527681) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-cycloheptyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID135527681
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-cycloheptyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCc1cc(=O)[nH]c(SCC(=O)NC2CCCCCC2)n1
InChIInChI=1S/C14H21N3O2S/c1-10-8-12(18)17-14(15-10)20-9-13(19)16-11-6-4-2-3-5-7-11/h8,11H,2-7,9H2,1H3,(H,16,19)(H,15,17,18)
InChIKeyPAXLRHJFKIAZBV-UHFFFAOYSA-N
XLogP2.01
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-Cyclohexyl-2-(4-hydroxy-6-methyl-pyrimidin-2-ylsulfanyl)-acetamide
CID 135403542
2-(4-Hydroxy-6-methyl-pyrimidin-2-ylsulfanyl)-1-piperidin-1-yl-ethanone
CID 135421456
2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one
CID 135473714
N-cyclooctyl-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135488684
4-amino-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 135505010
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
CID 135519868
N-cyclohexyl-2-[(6-oxo-4-propyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
CID 135400676
2-[(4-amino-6-oxo-1,6-dihydro-2-pyrimidinyl)thio]-N-cyclohexylpropanamide
CID 135485481
N-Cyclohexyl-2-(5,6-dimethyl-4-oxo-1,4-dihydro-pyrimidin-2-ylsulfanyl)-acetamide
CID 135517950
N-cycloheptyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 2364724
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-cyclooctylacetamide
CID 135475131
N-cyclopentyl-2-[(4-isopropyl-6-oxo-1,6-dihydro-2-pyrimidinyl)thio]acetamide
CID 135491354

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-cycloheptyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 135527681) is N-cycloheptyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-cycloheptyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is Cc1cc(=O)[nH]c(SCC(=O)NC2CCCCCC2)n1.
What is the InChIKey of N-cycloheptyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is PAXLRHJFKIAZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-10-8-12(18)17-14(15-10)20-9-13(19)16-11-6-4-2-3-5-7-11/h8,11H,2-7,9H2,1H3,(H,16,19)(H,15,17,18).
What are the key properties of N-cycloheptyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-cycloheptyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 295.41 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135527681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).