N-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylacetamide

C16H25N3OS — CID 23791491

IUPACN-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylacetamide
SMILESCCN(C(=O)CSc1nc(C)cc(C)n1)C1CCCCC1
InChIInChI=1S/C16H25N3OS/c1-4-19(14-8-6-5-7-9-14)15(20)11-21-16-17-12(2)10-13(3)18-16/h10,14H,4-9,11H2,1-3H3
InChIKeyKFJSZGKLZKNSSP-UHFFFAOYSA-N
MW307.46 g/mol
LogP3.37
Rot. Bonds5

About N-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylacetamide

N-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylacetamide (PubChem CID 23791491) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is N-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylacetamide
PubChem CID23791491
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC NameN-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylacetamide
SMILESCCN(C(=O)CSc1nc(C)cc(C)n1)C1CCCCC1
InChIInChI=1S/C16H25N3OS/c1-4-19(14-8-6-5-7-9-14)15(20)11-21-16-17-12(2)10-13(3)18-16/h10,14H,4-9,11H2,1-3H3
InChIKeyKFJSZGKLZKNSSP-UHFFFAOYSA-N
XLogP3.37
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylacetamide?
The IUPAC name of N-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylacetamide (CID 23791491) is N-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylacetamide?
The canonical SMILES for N-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylacetamide is CCN(C(=O)CSc1nc(C)cc(C)n1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylacetamide?
The InChIKey is KFJSZGKLZKNSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-4-19(14-8-6-5-7-9-14)15(20)11-21-16-17-12(2)10-13(3)18-16/h10,14H,4-9,11H2,1-3H3.
What are the key properties of N-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylacetamide?
N-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylacetamide has a molecular weight of 307.46 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethylacetamide is sourced from PubChem (CID 23791491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).