N-(2,3-dimethylcyclohexyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

C14H21N3O2S — CID 5079002

IUPACN-(2,3-dimethylcyclohexyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCC1CCCC(NC(=O)CSc2nccc(=O)[nH]2)C1C
InChIInChI=1S/C14H21N3O2S/c1-9-4-3-5-11(10(9)2)16-13(19)8-20-14-15-7-6-12(18)17-14/h6-7,9-11H,3-5,8H2,1-2H3,(H,16,19)(H,15,17,18)
InChIKeyLQZUNPHJCABTIF-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.80
Rot. Bonds4

About N-(2,3-dimethylcyclohexyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide

N-(2,3-dimethylcyclohexyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 5079002) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID5079002
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN-(2,3-dimethylcyclohexyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESCC1CCCC(NC(=O)CSc2nccc(=O)[nH]2)C1C
InChIInChI=1S/C14H21N3O2S/c1-9-4-3-5-11(10(9)2)16-13(19)8-20-14-15-7-6-12(18)17-14/h6-7,9-11H,3-5,8H2,1-2H3,(H,16,19)(H,15,17,18)
InChIKeyLQZUNPHJCABTIF-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 5079002) is N-(2,3-dimethylcyclohexyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is CC1CCCC(NC(=O)CSc2nccc(=O)[nH]2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is LQZUNPHJCABTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-9-4-3-5-11(10(9)2)16-13(19)8-20-14-15-7-6-12(18)17-14/h6-7,9-11H,3-5,8H2,1-2H3,(H,16,19)(H,15,17,18).
What are the key properties of N-(2,3-dimethylcyclohexyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-(2,3-dimethylcyclohexyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 295.41 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 5079002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).