2-(1-adamantyl)ethanesulfonamide

C12H21NO2S — CID 66521721

IUPAC2-(1-adamantyl)ethanesulfonamide
SMILESNS(=O)(=O)CCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H21NO2S/c13-16(14,15)2-1-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,1-8H2,(H2,13,14,15)
InChIKeyQFLOGJHFNSMGRS-UHFFFAOYSA-N
MW243.37 g/mol
LogP1.88
Rot. Bonds3

About 2-(1-adamantyl)ethanesulfonamide

2-(1-adamantyl)ethanesulfonamide (PubChem CID 66521721) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is 2-(1-adamantyl)ethanesulfonamide.

Molecular Properties

Compound Name2-(1-adamantyl)ethanesulfonamide
PubChem CID66521721
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC Name2-(1-adamantyl)ethanesulfonamide
SMILESNS(=O)(=O)CCC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H21NO2S/c13-16(14,15)2-1-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,1-8H2,(H2,13,14,15)
InChIKeyQFLOGJHFNSMGRS-UHFFFAOYSA-N
XLogP1.88
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)ethanesulfonamide?
The IUPAC name of 2-(1-adamantyl)ethanesulfonamide (CID 66521721) is 2-(1-adamantyl)ethanesulfonamide.
What is the SMILES notation for 2-(1-adamantyl)ethanesulfonamide?
The canonical SMILES for 2-(1-adamantyl)ethanesulfonamide is NS(=O)(=O)CCC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)ethanesulfonamide?
The InChIKey is QFLOGJHFNSMGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S/c13-16(14,15)2-1-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,1-8H2,(H2,13,14,15).
What are the key properties of 2-(1-adamantyl)ethanesulfonamide?
2-(1-adamantyl)ethanesulfonamide has a molecular weight of 243.37 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)ethanesulfonamide is sourced from PubChem (CID 66521721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).