N-[1-(1-adamantyl)propyl]ethanesulfonamide

C15H27NO2S — CID 22201503

IUPACN-[1-(1-adamantyl)propyl]ethanesulfonamide
SMILESCCC(NS(=O)(=O)CC)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H27NO2S/c1-3-14(16-19(17,18)4-2)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-14,16H,3-10H2,1-2H3
InChIKeyCGZFMEFEPMJKGM-UHFFFAOYSA-N
MW285.45 g/mol
LogP2.92
Rot. Bonds5

About N-[1-(1-adamantyl)propyl]ethanesulfonamide

N-[1-(1-adamantyl)propyl]ethanesulfonamide (PubChem CID 22201503) has the molecular formula C15H27NO2S and a molecular weight of 285.45 g/mol. Its IUPAC name is N-[1-(1-adamantyl)propyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)propyl]ethanesulfonamide
PubChem CID22201503
Molecular FormulaC15H27NO2S
Molecular Weight285.45 g/mol
Exact Mass285.18
IUPAC NameN-[1-(1-adamantyl)propyl]ethanesulfonamide
SMILESCCC(NS(=O)(=O)CC)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H27NO2S/c1-3-14(16-19(17,18)4-2)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-14,16H,3-10H2,1-2H3
InChIKeyCGZFMEFEPMJKGM-UHFFFAOYSA-N
XLogP2.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)propyl]ethanesulfonamide?
The IUPAC name of N-[1-(1-adamantyl)propyl]ethanesulfonamide (CID 22201503) is N-[1-(1-adamantyl)propyl]ethanesulfonamide.
What is the SMILES notation for N-[1-(1-adamantyl)propyl]ethanesulfonamide?
The canonical SMILES for N-[1-(1-adamantyl)propyl]ethanesulfonamide is CCC(NS(=O)(=O)CC)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)propyl]ethanesulfonamide?
The InChIKey is CGZFMEFEPMJKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2S/c1-3-14(16-19(17,18)4-2)15-8-11-5-12(9-15)7-13(6-11)10-15/h11-14,16H,3-10H2,1-2H3.
What are the key properties of N-[1-(1-adamantyl)propyl]ethanesulfonamide?
N-[1-(1-adamantyl)propyl]ethanesulfonamide has a molecular weight of 285.45 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)propyl]ethanesulfonamide is sourced from PubChem (CID 22201503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).