2-[1-(methylamino)cyclohexyl]-N-methylsulfonylacetamide

C10H20N2O3S — CID 103287573

IUPAC2-[1-(methylamino)cyclohexyl]-N-methylsulfonylacetamide
SMILESCNC1(CC(=O)NS(C)(=O)=O)CCCCC1
InChIInChI=1S/C10H20N2O3S/c1-11-10(6-4-3-5-7-10)8-9(13)12-16(2,14)15/h11H,3-8H2,1-2H3,(H,12,13)
InChIKeyDBRHNGQSWUYXGG-UHFFFAOYSA-N
MW248.35 g/mol
LogP0.37
Rot. Bonds4

About 2-[1-(methylamino)cyclohexyl]-N-methylsulfonylacetamide

2-[1-(methylamino)cyclohexyl]-N-methylsulfonylacetamide (PubChem CID 103287573) has the molecular formula C10H20N2O3S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-[1-(methylamino)cyclohexyl]-N-methylsulfonylacetamide.

Molecular Properties

Compound Name2-[1-(methylamino)cyclohexyl]-N-methylsulfonylacetamide
PubChem CID103287573
Molecular FormulaC10H20N2O3S
Molecular Weight248.35 g/mol
Exact Mass248.12
IUPAC Name2-[1-(methylamino)cyclohexyl]-N-methylsulfonylacetamide
SMILESCNC1(CC(=O)NS(C)(=O)=O)CCCCC1
InChIInChI=1S/C10H20N2O3S/c1-11-10(6-4-3-5-7-10)8-9(13)12-16(2,14)15/h11H,3-8H2,1-2H3,(H,12,13)
InChIKeyDBRHNGQSWUYXGG-UHFFFAOYSA-N
XLogP0.37
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylamino)cyclohexyl]-N-methylsulfonylacetamide?
The IUPAC name of 2-[1-(methylamino)cyclohexyl]-N-methylsulfonylacetamide (CID 103287573) is 2-[1-(methylamino)cyclohexyl]-N-methylsulfonylacetamide.
What is the SMILES notation for 2-[1-(methylamino)cyclohexyl]-N-methylsulfonylacetamide?
The canonical SMILES for 2-[1-(methylamino)cyclohexyl]-N-methylsulfonylacetamide is CNC1(CC(=O)NS(C)(=O)=O)CCCCC1.
What is the InChIKey of 2-[1-(methylamino)cyclohexyl]-N-methylsulfonylacetamide?
The InChIKey is DBRHNGQSWUYXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3S/c1-11-10(6-4-3-5-7-10)8-9(13)12-16(2,14)15/h11H,3-8H2,1-2H3,(H,12,13).
What are the key properties of 2-[1-(methylamino)cyclohexyl]-N-methylsulfonylacetamide?
2-[1-(methylamino)cyclohexyl]-N-methylsulfonylacetamide has a molecular weight of 248.35 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylamino)cyclohexyl]-N-methylsulfonylacetamide is sourced from PubChem (CID 103287573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).