1-(2-adamantyl)-N-methylmethanesulfonamide

C12H21NO2S — CID 165445876

IUPAC1-(2-adamantyl)-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)CC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H21NO2S/c1-13-16(14,15)7-12-10-3-8-2-9(5-10)6-11(12)4-8/h8-13H,2-7H2,1H3
InChIKeyXOQQLPSPFXSRQS-UHFFFAOYSA-N
MW243.37 g/mol
LogP1.61
Rot. Bonds3

About 1-(2-adamantyl)-N-methylmethanesulfonamide

1-(2-adamantyl)-N-methylmethanesulfonamide (PubChem CID 165445876) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is 1-(2-adamantyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-(2-adamantyl)-N-methylmethanesulfonamide
PubChem CID165445876
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC Name1-(2-adamantyl)-N-methylmethanesulfonamide
SMILESCNS(=O)(=O)CC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C12H21NO2S/c1-13-16(14,15)7-12-10-3-8-2-9(5-10)6-11(12)4-8/h8-13H,2-7H2,1H3
InChIKeyXOQQLPSPFXSRQS-UHFFFAOYSA-N
XLogP1.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-adamantyl)-N-methylmethanesulfonamide?
The IUPAC name of 1-(2-adamantyl)-N-methylmethanesulfonamide (CID 165445876) is 1-(2-adamantyl)-N-methylmethanesulfonamide.
What is the SMILES notation for 1-(2-adamantyl)-N-methylmethanesulfonamide?
The canonical SMILES for 1-(2-adamantyl)-N-methylmethanesulfonamide is CNS(=O)(=O)CC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 1-(2-adamantyl)-N-methylmethanesulfonamide?
The InChIKey is XOQQLPSPFXSRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S/c1-13-16(14,15)7-12-10-3-8-2-9(5-10)6-11(12)4-8/h8-13H,2-7H2,1H3.
What are the key properties of 1-(2-adamantyl)-N-methylmethanesulfonamide?
1-(2-adamantyl)-N-methylmethanesulfonamide has a molecular weight of 243.37 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-adamantyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 165445876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).