N-methyl-2-[(3-methylidenecyclohexyl)-methylsulfonylamino]acetamide

C11H20N2O3S — CID 123401544

IUPACN-methyl-2-[(3-methylidenecyclohexyl)-methylsulfonylamino]acetamide
SMILESC=C1CCCC(N(CC(=O)NC)S(C)(=O)=O)C1
InChIInChI=1S/C11H20N2O3S/c1-9-5-4-6-10(7-9)13(17(3,15)16)8-11(14)12-2/h10H,1,4-8H2,2-3H3,(H,12,14)
InChIKeyILUJADIEDLBHQB-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.49
Rot. Bonds4

About N-methyl-2-[(3-methylidenecyclohexyl)-methylsulfonylamino]acetamide

N-methyl-2-[(3-methylidenecyclohexyl)-methylsulfonylamino]acetamide (PubChem CID 123401544) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-methyl-2-[(3-methylidenecyclohexyl)-methylsulfonylamino]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(3-methylidenecyclohexyl)-methylsulfonylamino]acetamide
PubChem CID123401544
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC NameN-methyl-2-[(3-methylidenecyclohexyl)-methylsulfonylamino]acetamide
SMILESC=C1CCCC(N(CC(=O)NC)S(C)(=O)=O)C1
InChIInChI=1S/C11H20N2O3S/c1-9-5-4-6-10(7-9)13(17(3,15)16)8-11(14)12-2/h10H,1,4-8H2,2-3H3,(H,12,14)
InChIKeyILUJADIEDLBHQB-UHFFFAOYSA-N
XLogP0.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3-methylidenecyclohexyl)-methylsulfonylamino]acetamide?
The IUPAC name of N-methyl-2-[(3-methylidenecyclohexyl)-methylsulfonylamino]acetamide (CID 123401544) is N-methyl-2-[(3-methylidenecyclohexyl)-methylsulfonylamino]acetamide.
What is the SMILES notation for N-methyl-2-[(3-methylidenecyclohexyl)-methylsulfonylamino]acetamide?
The canonical SMILES for N-methyl-2-[(3-methylidenecyclohexyl)-methylsulfonylamino]acetamide is C=C1CCCC(N(CC(=O)NC)S(C)(=O)=O)C1.
What is the InChIKey of N-methyl-2-[(3-methylidenecyclohexyl)-methylsulfonylamino]acetamide?
The InChIKey is ILUJADIEDLBHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-9-5-4-6-10(7-9)13(17(3,15)16)8-11(14)12-2/h10H,1,4-8H2,2-3H3,(H,12,14).
What are the key properties of N-methyl-2-[(3-methylidenecyclohexyl)-methylsulfonylamino]acetamide?
N-methyl-2-[(3-methylidenecyclohexyl)-methylsulfonylamino]acetamide has a molecular weight of 260.36 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(3-methylidenecyclohexyl)-methylsulfonylamino]acetamide is sourced from PubChem (CID 123401544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).