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

C12H17N3O2S — CID 860086

IUPACN-cyclohexyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nccc(=O)[nH]1)NC1CCCCC1
InChIInChI=1S/C12H17N3O2S/c16-10-6-7-13-12(15-10)18-8-11(17)14-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,14,17)(H,13,15,16)
InChIKeyKOQWVGWQJLASBG-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.31
Rot. Bonds4

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

N-cyclohexyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (PubChem CID 860086) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is N-cyclohexyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
PubChem CID860086
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC NameN-cyclohexyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nccc(=O)[nH]1)NC1CCCCC1
InChIInChI=1S/C12H17N3O2S/c16-10-6-7-13-12(15-10)18-8-11(17)14-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,14,17)(H,13,15,16)
InChIKeyKOQWVGWQJLASBG-UHFFFAOYSA-N
XLogP1.31
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclohexyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide (CID 860086) is N-cyclohexyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is O=C(CSc1nccc(=O)[nH]1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
The InChIKey is KOQWVGWQJLASBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c16-10-6-7-13-12(15-10)18-8-11(17)14-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,14,17)(H,13,15,16).
What are the key properties of N-cyclohexyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide?
N-cyclohexyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide has a molecular weight of 267.35 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 860086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).