N-(1-adamantyl)-N-methylmethanesulfonamide

C12H21NO2S — CID 22204481

IUPACN-(1-adamantyl)-N-methylmethanesulfonamide
SMILESCN(C12CC3CC(CC(C3)C1)C2)S(C)(=O)=O
InChIInChI=1S/C12H21NO2S/c1-13(16(2,14)15)12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,3-8H2,1-2H3
InChIKeyUAZJCJGTFDIBJG-UHFFFAOYSA-N
MW243.37 g/mol
LogP1.85
Rot. Bonds2

About N-(1-adamantyl)-N-methylmethanesulfonamide

N-(1-adamantyl)-N-methylmethanesulfonamide (PubChem CID 22204481) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is N-(1-adamantyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(1-adamantyl)-N-methylmethanesulfonamide
PubChem CID22204481
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC NameN-(1-adamantyl)-N-methylmethanesulfonamide
SMILESCN(C12CC3CC(CC(C3)C1)C2)S(C)(=O)=O
InChIInChI=1S/C12H21NO2S/c1-13(16(2,14)15)12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,3-8H2,1-2H3
InChIKeyUAZJCJGTFDIBJG-UHFFFAOYSA-N
XLogP1.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-adamantyl)methanesulfonamide
CID 2932031
N,N-bis(methanesulfonyl)-1-adamantylamine
CID 101058159
1-Adamantyl(trimethyl)azanium sulfite
CID 118193000
1-(1-adamantylamino)-N-methylmethanesulfonamide
CID 123878193
N-[3-(1-adamantylamino)propyl]methanesulfonamide
CID 134195115
(1-Adamantylamino)methanesulfonamide
CID 139317950
2-Adamantyl(trimethyl)azanium;methanesulfonate
CID 139410770
N-(1-adamantyl)-N-methylsulfamate
CID 145749011
1-[Propyl(sulfinato)amino]adamantane
CID 174566284
4-Adamantanyl-1-(methylsulfonyl)piperazine
CID 17349309
N-(1-adamantyl)-N-methylethanesulfonamide
CID 22204482
N-(1-adamantyl)-N-methylbutane-1-sulfonamide
CID 22204483

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-N-methylmethanesulfonamide?
The IUPAC name of N-(1-adamantyl)-N-methylmethanesulfonamide (CID 22204481) is N-(1-adamantyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(1-adamantyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(1-adamantyl)-N-methylmethanesulfonamide is CN(C12CC3CC(CC(C3)C1)C2)S(C)(=O)=O.
What is the InChIKey of N-(1-adamantyl)-N-methylmethanesulfonamide?
The InChIKey is UAZJCJGTFDIBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S/c1-13(16(2,14)15)12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,3-8H2,1-2H3.
What are the key properties of N-(1-adamantyl)-N-methylmethanesulfonamide?
N-(1-adamantyl)-N-methylmethanesulfonamide has a molecular weight of 243.37 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 22204481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).