N-(2-adamantyl)methanesulfonamide

C11H19NO2S — CID 22204435

IUPACN-(2-adamantyl)methanesulfonamide
SMILESCS(=O)(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C11H19NO2S/c1-15(13,14)12-11-9-3-7-2-8(5-9)6-10(11)4-7/h7-12H,2-6H2,1H3
InChIKeyQEHURIHBLSAKFS-UHFFFAOYSA-N
MW229.34 g/mol
LogP1.36
Rot. Bonds2

About N-(2-adamantyl)methanesulfonamide

N-(2-adamantyl)methanesulfonamide (PubChem CID 22204435) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is N-(2-adamantyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-adamantyl)methanesulfonamide
PubChem CID22204435
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC NameN-(2-adamantyl)methanesulfonamide
SMILESCS(=O)(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C11H19NO2S/c1-15(13,14)12-11-9-3-7-2-8(5-9)6-10(11)4-7/h7-12H,2-6H2,1H3
InChIKeyQEHURIHBLSAKFS-UHFFFAOYSA-N
XLogP1.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)methanesulfonamide?
The IUPAC name of N-(2-adamantyl)methanesulfonamide (CID 22204435) is N-(2-adamantyl)methanesulfonamide.
What is the SMILES notation for N-(2-adamantyl)methanesulfonamide?
The canonical SMILES for N-(2-adamantyl)methanesulfonamide is CS(=O)(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)methanesulfonamide?
The InChIKey is QEHURIHBLSAKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c1-15(13,14)12-11-9-3-7-2-8(5-9)6-10(11)4-7/h7-12H,2-6H2,1H3.
What are the key properties of N-(2-adamantyl)methanesulfonamide?
N-(2-adamantyl)methanesulfonamide has a molecular weight of 229.34 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)methanesulfonamide is sourced from PubChem (CID 22204435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).