N-(1-adamantyl)ethanesulfonamide

C12H21NO2S — CID 3574114

IUPACN-(1-adamantyl)ethanesulfonamide
SMILESCCS(=O)(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H21NO2S/c1-2-16(14,15)13-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11,13H,2-8H2,1H3
InChIKeyDHBJZTWJZHHIET-UHFFFAOYSA-N
MW243.37 g/mol
LogP1.89
Rot. Bonds3

About N-(1-adamantyl)ethanesulfonamide

N-(1-adamantyl)ethanesulfonamide (PubChem CID 3574114) has the molecular formula C12H21NO2S and a molecular weight of 243.37 g/mol. Its IUPAC name is N-(1-adamantyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(1-adamantyl)ethanesulfonamide
PubChem CID3574114
Molecular FormulaC12H21NO2S
Molecular Weight243.37 g/mol
Exact Mass243.13
IUPAC NameN-(1-adamantyl)ethanesulfonamide
SMILESCCS(=O)(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C12H21NO2S/c1-2-16(14,15)13-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11,13H,2-8H2,1H3
InChIKeyDHBJZTWJZHHIET-UHFFFAOYSA-N
XLogP1.89
TPSA46.17 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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)ethanesulfonamide?
The IUPAC name of N-(1-adamantyl)ethanesulfonamide (CID 3574114) is N-(1-adamantyl)ethanesulfonamide.
What is the SMILES notation for N-(1-adamantyl)ethanesulfonamide?
The canonical SMILES for N-(1-adamantyl)ethanesulfonamide is CCS(=O)(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)ethanesulfonamide?
The InChIKey is DHBJZTWJZHHIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2S/c1-2-16(14,15)13-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11,13H,2-8H2,1H3.
What are the key properties of N-(1-adamantyl)ethanesulfonamide?
N-(1-adamantyl)ethanesulfonamide has a molecular weight of 243.37 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)ethanesulfonamide is sourced from PubChem (CID 3574114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).