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

C14H23NO2S — CID 134204555

IUPACN-(4-methyl-1-adamantyl)cyclopropanesulfonamide
SMILESCC1C2CC3CC1CC(NS(=O)(=O)C1CC1)(C3)C2
InChIInChI=1S/C14H23NO2S/c1-9-11-4-10-5-12(9)8-14(6-10,7-11)15-18(16,17)13-2-3-13/h9-13,15H,2-8H2,1H3
InChIKeyYGYNWFCHULCUDA-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.28
Rot. Bonds3

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

N-(4-methyl-1-adamantyl)cyclopropanesulfonamide (PubChem CID 134204555) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is N-(4-methyl-1-adamantyl)cyclopropanesulfonamide.

Molecular Properties

Compound NameN-(4-methyl-1-adamantyl)cyclopropanesulfonamide
PubChem CID134204555
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC NameN-(4-methyl-1-adamantyl)cyclopropanesulfonamide
SMILESCC1C2CC3CC1CC(NS(=O)(=O)C1CC1)(C3)C2
InChIInChI=1S/C14H23NO2S/c1-9-11-4-10-5-12(9)8-14(6-10,7-11)15-18(16,17)13-2-3-13/h9-13,15H,2-8H2,1H3
InChIKeyYGYNWFCHULCUDA-UHFFFAOYSA-N
XLogP2.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.28
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)cyclopropanesulfonamide?
The IUPAC name of N-(4-methyl-1-adamantyl)cyclopropanesulfonamide (CID 134204555) is N-(4-methyl-1-adamantyl)cyclopropanesulfonamide.
What is the SMILES notation for N-(4-methyl-1-adamantyl)cyclopropanesulfonamide?
The canonical SMILES for N-(4-methyl-1-adamantyl)cyclopropanesulfonamide is CC1C2CC3CC1CC(NS(=O)(=O)C1CC1)(C3)C2.
What is the InChIKey of N-(4-methyl-1-adamantyl)cyclopropanesulfonamide?
The InChIKey is YGYNWFCHULCUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-9-11-4-10-5-12(9)8-14(6-10,7-11)15-18(16,17)13-2-3-13/h9-13,15H,2-8H2,1H3.
What are the key properties of N-(4-methyl-1-adamantyl)cyclopropanesulfonamide?
N-(4-methyl-1-adamantyl)cyclopropanesulfonamide has a molecular weight of 269.41 g/mol, XLogP of 2.28, 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)cyclopropanesulfonamide is sourced from PubChem (CID 134204555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).