N-(4-methyl-1-adamantyl)ethanesulfonamide

C13H23NO2S — CID 134204497

IUPACN-(4-methyl-1-adamantyl)ethanesulfonamide
SMILESCCS(=O)(=O)NC12CC3CC(C1)C(C)C(C3)C2
InChIInChI=1S/C13H23NO2S/c1-3-17(15,16)14-13-6-10-4-11(7-13)9(2)12(5-10)8-13/h9-12,14H,3-8H2,1-2H3
InChIKeyJWQMWGRXIRDPKA-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.14
Rot. Bonds3

About N-(4-methyl-1-adamantyl)ethanesulfonamide

N-(4-methyl-1-adamantyl)ethanesulfonamide (PubChem CID 134204497) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is N-(4-methyl-1-adamantyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(4-methyl-1-adamantyl)ethanesulfonamide
PubChem CID134204497
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC NameN-(4-methyl-1-adamantyl)ethanesulfonamide
SMILESCCS(=O)(=O)NC12CC3CC(C1)C(C)C(C3)C2
InChIInChI=1S/C13H23NO2S/c1-3-17(15,16)14-13-6-10-4-11(7-13)9(2)12(5-10)8-13/h9-12,14H,3-8H2,1-2H3
InChIKeyJWQMWGRXIRDPKA-UHFFFAOYSA-N
XLogP2.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1-adamantyl)ethanesulfonamide?
The IUPAC name of N-(4-methyl-1-adamantyl)ethanesulfonamide (CID 134204497) is N-(4-methyl-1-adamantyl)ethanesulfonamide.
What is the SMILES notation for N-(4-methyl-1-adamantyl)ethanesulfonamide?
The canonical SMILES for N-(4-methyl-1-adamantyl)ethanesulfonamide is CCS(=O)(=O)NC12CC3CC(C1)C(C)C(C3)C2.
What is the InChIKey of N-(4-methyl-1-adamantyl)ethanesulfonamide?
The InChIKey is JWQMWGRXIRDPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S/c1-3-17(15,16)14-13-6-10-4-11(7-13)9(2)12(5-10)8-13/h9-12,14H,3-8H2,1-2H3.
What are the key properties of N-(4-methyl-1-adamantyl)ethanesulfonamide?
N-(4-methyl-1-adamantyl)ethanesulfonamide has a molecular weight of 257.40 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1-adamantyl)ethanesulfonamide is sourced from PubChem (CID 134204497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).