N-cycloheptyl-2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetamide

C15H23N3OS — CID 31905361

IUPACN-cycloheptyl-2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)NC2CCCCCC2)nc(C)n1
InChIInChI=1S/C15H23N3OS/c1-11-9-15(17-12(2)16-11)20-10-14(19)18-13-7-5-3-4-6-8-13/h9,13H,3-8,10H2,1-2H3,(H,18,19)
InChIKeyIXCLETLYATTXDF-UHFFFAOYSA-N
MW293.44 g/mol
LogP3.02
Rot. Bonds4

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

N-cycloheptyl-2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetamide (PubChem CID 31905361) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is N-cycloheptyl-2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetamide
PubChem CID31905361
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC NameN-cycloheptyl-2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetamide
SMILESCc1cc(SCC(=O)NC2CCCCCC2)nc(C)n1
InChIInChI=1S/C15H23N3OS/c1-11-9-15(17-12(2)16-11)20-10-14(19)18-13-7-5-3-4-6-8-13/h9,13H,3-8,10H2,1-2H3,(H,18,19)
InChIKeyIXCLETLYATTXDF-UHFFFAOYSA-N
XLogP3.02
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]-N-ethylpropanamide
CID 6483849
2-(4-Amino-6-methylpyrimidin-2-yl)sulfanyl-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 4430216
2-[(2,6-Dimethylpyrimidin-4-yl)sulfanyl]-1-(piperidin-1-yl)ethanone
CID 664892
Pyrimidin-2-amine, 15
CID 44220304
2-(4,6-dimethylpyrimidin-2-ylthio)-N-cyclopentylacetamide
CID 2772852
N-cycloheptyl-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
CID 6469527
3-(4-Amino-6-methylpyrimidin-2-yl)sulfanylazepan-2-one
CID 42887118
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(cyclohexylmethyl)propanamide
CID 45352217
2-(4,6-dimethylpyrimidin-2-ylthio)-N-cyclohexylacetamide
CID 712737
N-(6-ethylthio-4-methylpyrimidin-2-yl)propanamide
CID 766323
2-((2-Isopropyl-6-methylpyrimidin-4-yl)thio)acetamide
CID 24321568
2-(6-methyl-2-propan-2-ylpyrimidin-4-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 17460023

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of N-cycloheptyl-2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetamide (CID 31905361) is N-cycloheptyl-2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-cycloheptyl-2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for N-cycloheptyl-2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetamide is Cc1cc(SCC(=O)NC2CCCCCC2)nc(C)n1.
What is the InChIKey of N-cycloheptyl-2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetamide?
The InChIKey is IXCLETLYATTXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-11-9-15(17-12(2)16-11)20-10-14(19)18-13-7-5-3-4-6-8-13/h9,13H,3-8,10H2,1-2H3,(H,18,19).
What are the key properties of N-cycloheptyl-2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetamide?
N-cycloheptyl-2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetamide has a molecular weight of 293.44 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(2,6-dimethylpyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 31905361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).