N-(2-adamantyl)-3-methylsulfonylpropanamide

C14H23NO3S — CID 78864384

IUPACN-(2-adamantyl)-3-methylsulfonylpropanamide
SMILESCS(=O)(=O)CCC(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H23NO3S/c1-19(17,18)3-2-13(16)15-14-11-5-9-4-10(7-11)8-12(14)6-9/h9-12,14H,2-8H2,1H3,(H,15,16)
InChIKeyLSAMYSFIJHRFTO-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.36
Rot. Bonds4

About N-(2-adamantyl)-3-methylsulfonylpropanamide

N-(2-adamantyl)-3-methylsulfonylpropanamide (PubChem CID 78864384) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(2-adamantyl)-3-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(2-adamantyl)-3-methylsulfonylpropanamide
PubChem CID78864384
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC NameN-(2-adamantyl)-3-methylsulfonylpropanamide
SMILESCS(=O)(=O)CCC(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C14H23NO3S/c1-19(17,18)3-2-13(16)15-14-11-5-9-4-10(7-11)8-12(14)6-9/h9-12,14H,2-8H2,1H3,(H,15,16)
InChIKeyLSAMYSFIJHRFTO-UHFFFAOYSA-N
XLogP1.36
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-3-methylsulfonylpropanamide?
The IUPAC name of N-(2-adamantyl)-3-methylsulfonylpropanamide (CID 78864384) is N-(2-adamantyl)-3-methylsulfonylpropanamide.
What is the SMILES notation for N-(2-adamantyl)-3-methylsulfonylpropanamide?
The canonical SMILES for N-(2-adamantyl)-3-methylsulfonylpropanamide is CS(=O)(=O)CCC(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-3-methylsulfonylpropanamide?
The InChIKey is LSAMYSFIJHRFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-19(17,18)3-2-13(16)15-14-11-5-9-4-10(7-11)8-12(14)6-9/h9-12,14H,2-8H2,1H3,(H,15,16).
What are the key properties of N-(2-adamantyl)-3-methylsulfonylpropanamide?
N-(2-adamantyl)-3-methylsulfonylpropanamide has a molecular weight of 285.41 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-3-methylsulfonylpropanamide is sourced from PubChem (CID 78864384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).