N-(1-adamantyl)-N-methylethanesulfonamide

C13H23NO2S — CID 22204482

IUPACN-(1-adamantyl)-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H23NO2S/c1-3-17(15,16)14(2)13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12H,3-9H2,1-2H3
InChIKeyTWSJVUNKYULPKB-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.24
Rot. Bonds3

About N-(1-adamantyl)-N-methylethanesulfonamide

N-(1-adamantyl)-N-methylethanesulfonamide (PubChem CID 22204482) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is N-(1-adamantyl)-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-(1-adamantyl)-N-methylethanesulfonamide
PubChem CID22204482
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC NameN-(1-adamantyl)-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H23NO2S/c1-3-17(15,16)14(2)13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12H,3-9H2,1-2H3
InChIKeyTWSJVUNKYULPKB-UHFFFAOYSA-N
XLogP2.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-N-methylethanesulfonamide?
The IUPAC name of N-(1-adamantyl)-N-methylethanesulfonamide (CID 22204482) is N-(1-adamantyl)-N-methylethanesulfonamide.
What is the SMILES notation for N-(1-adamantyl)-N-methylethanesulfonamide?
The canonical SMILES for N-(1-adamantyl)-N-methylethanesulfonamide is CCS(=O)(=O)N(C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-N-methylethanesulfonamide?
The InChIKey is TWSJVUNKYULPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S/c1-3-17(15,16)14(2)13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12H,3-9H2,1-2H3.
What are the key properties of N-(1-adamantyl)-N-methylethanesulfonamide?
N-(1-adamantyl)-N-methylethanesulfonamide has a molecular weight of 257.40 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-N-methylethanesulfonamide is sourced from PubChem (CID 22204482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).