1-adamantylmethanesulfonamide

C11H19NO2S — CID 112703944

IUPAC1-adamantylmethanesulfonamide
SMILESNS(=O)(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H19NO2S/c12-15(13,14)7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-7H2,(H2,12,13,14)
InChIKeyHYZWXIBOICRLGM-UHFFFAOYSA-N
MW229.34 g/mol
LogP1.49
Rot. Bonds2

About 1-adamantylmethanesulfonamide

1-adamantylmethanesulfonamide (PubChem CID 112703944) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is 1-adamantylmethanesulfonamide.

Molecular Properties

Compound Name1-adamantylmethanesulfonamide
PubChem CID112703944
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC Name1-adamantylmethanesulfonamide
SMILESNS(=O)(=O)CC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C11H19NO2S/c12-15(13,14)7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-7H2,(H2,12,13,14)
InChIKeyHYZWXIBOICRLGM-UHFFFAOYSA-N
XLogP1.49
TPSA60.16 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 ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-adamantylmethanesulfonamide?
The IUPAC name of 1-adamantylmethanesulfonamide (CID 112703944) is 1-adamantylmethanesulfonamide.
What is the SMILES notation for 1-adamantylmethanesulfonamide?
The canonical SMILES for 1-adamantylmethanesulfonamide is NS(=O)(=O)CC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantylmethanesulfonamide?
The InChIKey is HYZWXIBOICRLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2S/c12-15(13,14)7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-7H2,(H2,12,13,14).
What are the key properties of 1-adamantylmethanesulfonamide?
1-adamantylmethanesulfonamide has a molecular weight of 229.34 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantylmethanesulfonamide is sourced from PubChem (CID 112703944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).