N-[1-(1-adamantyl)ethyl]propane-1-sulfonamide

C15H27NO2S — CID 47105687

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

About N-[1-(1-adamantyl)ethyl]propane-1-sulfonamide

N-[1-(1-adamantyl)ethyl]propane-1-sulfonamide (PubChem CID 47105687) has the molecular formula C15H27NO2S and a molecular weight of 285.45 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]propane-1-sulfonamide
PubChem CID47105687
Molecular FormulaC15H27NO2S
Molecular Weight285.45 g/mol
Exact Mass285.18
IUPAC NameN-[1-(1-adamantyl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C15H27NO2S/c1-3-4-19(17,18)16-11(2)15-8-12-5-13(9-15)7-14(6-12)10-15/h11-14,16H,3-10H2,1-2H3
InChIKeyIYKFIPIRPZEOQX-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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Related Compounds

N-[1-(1-adamantyl)ethyl]-3-ethylsulfonylpropan-1-amine
CID 65093829
N-[1-(1-adamantyl)propyl]ethanesulfonamide
CID 22201503
N-[1-(1-adamantyl)ethyl]-4-ethylbenzenesulfonamide
CID 19681569
1-(1-adamantyl)ethylhydrazine
CID 23008707
N-[(1S)-1-(1-adamantyl)ethyl]benzenesulfonamide
CID 40554657
N-[1-(1-adamantyl)ethyl]hexan-3-amine
CID 55193331
(1S)-1-(1-adamantyl)-N-methoxyethanamine
CID 164724198
N-[1-(1-adamantyl)ethyl]hexan-2-amine
CID 43757554
N-[1-(1-adamantyl)ethyl]-4-tert-butylbenzenesulfonamide
CID 19681573
1-[(1S)-1-(1-adamantyl)ethyl]-3-butylurea
CID 7068856
2-(1-adamantyl)-N-[(1R)-1-(1-adamantyl)ethyl]acetamide
CID 7322047
N-[1-(1-adamantyl)ethyl]-3,4-difluorobenzenesulfonamide
CID 3274556

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)ethyl]propane-1-sulfonamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]propane-1-sulfonamide (CID 47105687) is N-[1-(1-adamantyl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NC(C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]propane-1-sulfonamide?
The InChIKey is IYKFIPIRPZEOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2S/c1-3-4-19(17,18)16-11(2)15-8-12-5-13(9-15)7-14(6-12)10-15/h11-14,16H,3-10H2,1-2H3.
What are the key properties of N-[1-(1-adamantyl)ethyl]propane-1-sulfonamide?
N-[1-(1-adamantyl)ethyl]propane-1-sulfonamide 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)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 47105687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).