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

C13H19N3O2S — CID 2362539

IUPACN-cyclohexyl-N-methyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCN(C(=O)CSc1nccc(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C13H19N3O2S/c1-16(10-5-3-2-4-6-10)12(18)9-19-13-14-8-7-11(17)15-13/h7-8,10H,2-6,9H2,1H3,(H,14,15,17)
InChIKeyDZQDJUBVKIAESS-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.65
Rot. Bonds4

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

N-cyclohexyl-N-methyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 2362539) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID2362539
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-cyclohexyl-N-methyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCN(C(=O)CSc1nccc(=O)[nH]1)C1CCCCC1
InChIInChI=1S/C13H19N3O2S/c1-16(10-5-3-2-4-6-10)12(18)9-19-13-14-8-7-11(17)15-13/h7-8,10H,2-6,9H2,1H3,(H,14,15,17)
InChIKeyDZQDJUBVKIAESS-UHFFFAOYSA-N
XLogP1.65
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 2362539) is N-cyclohexyl-N-methyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is CN(C(=O)CSc1nccc(=O)[nH]1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is DZQDJUBVKIAESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-16(10-5-3-2-4-6-10)12(18)9-19-13-14-8-7-11(17)15-13/h7-8,10H,2-6,9H2,1H3,(H,14,15,17).
What are the key properties of N-cyclohexyl-N-methyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-cyclohexyl-N-methyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 281.38 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2362539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).