N-(3-cyclohexyloxypropyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide

C17H27N3O2S — CID 31719570

IUPACN-(3-cyclohexyloxypropyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1cc(C)nc(SCC(=O)NCCCOC2CCCCC2)n1
InChIInChI=1S/C17H27N3O2S/c1-13-11-14(2)20-17(19-13)23-12-16(21)18-9-6-10-22-15-7-4-3-5-8-15/h11,15H,3-10,12H2,1-2H3,(H,18,21)
InChIKeyUIQASXXRGDPRJH-UHFFFAOYSA-N
MW337.49 g/mol
LogP3.04
Rot. Bonds8

About N-(3-cyclohexyloxypropyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide

N-(3-cyclohexyloxypropyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide (PubChem CID 31719570) has the molecular formula C17H27N3O2S and a molecular weight of 337.49 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
PubChem CID31719570
Molecular FormulaC17H27N3O2S
Molecular Weight337.49 g/mol
Exact Mass337.18
IUPAC NameN-(3-cyclohexyloxypropyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
SMILESCc1cc(C)nc(SCC(=O)NCCCOC2CCCCC2)n1
InChIInChI=1S/C17H27N3O2S/c1-13-11-14(2)20-17(19-13)23-12-16(21)18-9-6-10-22-15-7-4-3-5-8-15/h11,15H,3-10,12H2,1-2H3,(H,18,21)
InChIKeyUIQASXXRGDPRJH-UHFFFAOYSA-N
XLogP3.04
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The IUPAC name of N-(3-cyclohexyloxypropyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide (CID 31719570) is N-(3-cyclohexyloxypropyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide is Cc1cc(C)nc(SCC(=O)NCCCOC2CCCCC2)n1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
The InChIKey is UIQASXXRGDPRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2S/c1-13-11-14(2)20-17(19-13)23-12-16(21)18-9-6-10-22-15-7-4-3-5-8-15/h11,15H,3-10,12H2,1-2H3,(H,18,21).
What are the key properties of N-(3-cyclohexyloxypropyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide?
N-(3-cyclohexyloxypropyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide has a molecular weight of 337.49 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide is sourced from PubChem (CID 31719570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).