N-[1-(1-adamantyl)ethyl]methanesulfonamide

C13H23NO2S — CID 5007705

IUPACN-[1-(1-adamantyl)ethyl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H23NO2S/c1-9(14-17(2,15)16)13-6-10-3-11(7-13)5-12(4-10)8-13/h9-12,14H,3-8H2,1-2H3
InChIKeyMMWXZDGJECKDNF-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.14
Rot. Bonds3

About N-[1-(1-adamantyl)ethyl]methanesulfonamide

N-[1-(1-adamantyl)ethyl]methanesulfonamide (PubChem CID 5007705) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is N-[1-(1-adamantyl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)ethyl]methanesulfonamide
PubChem CID5007705
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC NameN-[1-(1-adamantyl)ethyl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H23NO2S/c1-9(14-17(2,15)16)13-6-10-3-11(7-13)5-12(4-10)8-13/h9-12,14H,3-8H2,1-2H3
InChIKeyMMWXZDGJECKDNF-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-[1-(1-adamantyl)ethyl]methanesulfonamide?
The IUPAC name of N-[1-(1-adamantyl)ethyl]methanesulfonamide (CID 5007705) is N-[1-(1-adamantyl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[1-(1-adamantyl)ethyl]methanesulfonamide?
The canonical SMILES for N-[1-(1-adamantyl)ethyl]methanesulfonamide is CC(NS(C)(=O)=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)ethyl]methanesulfonamide?
The InChIKey is MMWXZDGJECKDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S/c1-9(14-17(2,15)16)13-6-10-3-11(7-13)5-12(4-10)8-13/h9-12,14H,3-8H2,1-2H3.
What are the key properties of N-[1-(1-adamantyl)ethyl]methanesulfonamide?
N-[1-(1-adamantyl)ethyl]methanesulfonamide 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-[1-(1-adamantyl)ethyl]methanesulfonamide is sourced from PubChem (CID 5007705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).