N-(2-methyl-2-adamantyl)methanesulfonamide

C12H21NO2S — CID 134195381

IUPACN-(2-methyl-2-adamantyl)methanesulfonamide
SMILESCC1(NS(C)(=O)=O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H21NO2S/c1-12(13-16(2,14)15)10-4-8-3-9(6-10)7-11(12)5-8/h8-11,13H,3-7H2,1-2H3
InChIKeyXOKKQYLLCFFKLX-UHFFFAOYSA-N
MW243.37 g/mol
LogP1.75
Rot. Bonds2

About N-(2-methyl-2-adamantyl)methanesulfonamide

N-(2-methyl-2-adamantyl)methanesulfonamide (PubChem CID 134195381) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is N-(2-methyl-2-adamantyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-methyl-2-adamantyl)methanesulfonamide
PubChem CID134195381
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC NameN-(2-methyl-2-adamantyl)methanesulfonamide
SMILESCC1(NS(C)(=O)=O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H21NO2S/c1-12(13-16(2,14)15)10-4-8-3-9(6-10)7-11(12)5-8/h8-11,13H,3-7H2,1-2H3
InChIKeyXOKKQYLLCFFKLX-UHFFFAOYSA-N
XLogP1.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-adamantyl)methanesulfonamide?
The IUPAC name of N-(2-methyl-2-adamantyl)methanesulfonamide (CID 134195381) is N-(2-methyl-2-adamantyl)methanesulfonamide.
What is the SMILES notation for N-(2-methyl-2-adamantyl)methanesulfonamide?
The canonical SMILES for N-(2-methyl-2-adamantyl)methanesulfonamide is CC1(NS(C)(=O)=O)C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-methyl-2-adamantyl)methanesulfonamide?
The InChIKey is XOKKQYLLCFFKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S/c1-12(13-16(2,14)15)10-4-8-3-9(6-10)7-11(12)5-8/h8-11,13H,3-7H2,1-2H3.
What are the key properties of N-(2-methyl-2-adamantyl)methanesulfonamide?
N-(2-methyl-2-adamantyl)methanesulfonamide has a molecular weight of 243.37 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-adamantyl)methanesulfonamide is sourced from PubChem (CID 134195381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).