N-(3,5-dimethyl-1-adamantyl)methanesulfonamide

C13H23NO2S — CID 79986690

IUPACN-(3,5-dimethyl-1-adamantyl)methanesulfonamide
SMILESCC12CC3CC(C)(C1)CC(NS(C)(=O)=O)(C3)C2
InChIInChI=1S/C13H23NO2S/c1-11-4-10-5-12(2,7-11)9-13(6-10,8-11)14-17(3,15)16/h10,14H,4-9H2,1-3H3
InChIKeyBQDYNENQVZDZQE-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.28
Rot. Bonds2

About N-(3,5-dimethyl-1-adamantyl)methanesulfonamide

N-(3,5-dimethyl-1-adamantyl)methanesulfonamide (PubChem CID 79986690) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-adamantyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-adamantyl)methanesulfonamide
PubChem CID79986690
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC NameN-(3,5-dimethyl-1-adamantyl)methanesulfonamide
SMILESCC12CC3CC(C)(C1)CC(NS(C)(=O)=O)(C3)C2
InChIInChI=1S/C13H23NO2S/c1-11-4-10-5-12(2,7-11)9-13(6-10,8-11)14-17(3,15)16/h10,14H,4-9H2,1-3H3
InChIKeyBQDYNENQVZDZQE-UHFFFAOYSA-N
XLogP2.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-dimethyl-1-adamantyl)-1,1,1-trifluoromethanesulfonamide
CID 155124470
N-(1-adamantyl)methanesulfonamide
CID 2932031
N-(3-ethyl-1-adamantyl)-1,1,1-trifluoromethanesulfonamide
CID 177855036
Adamantan-1-ylsulfamoyl chloride
CID 12682607
N-(1-adamantyl)-1,1,1-trifluoromethanesulfonamide
CID 66991775
N-(1-adamantyl)-2-fluoropropane-2-sulfonamide
CID 123585652
N,N-bis(methanesulfonyl)-1-adamantylamine
CID 101058159
N-(1-adamantyl)ethanesulfonamide
CID 3574114
N-[1-(1-adamantyl)ethyl]methanesulfonamide
CID 5007705
N-tert-Butyl-N'-(adamant-l-yl) sulfamide
CID 12708050
N-(1-adamantylmethyl)methanesulfonamide
CID 22206722
3,5-Dimethyladamantan-1-amine;methanesulfonic acid
CID 25168299

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-adamantyl)methanesulfonamide?
The IUPAC name of N-(3,5-dimethyl-1-adamantyl)methanesulfonamide (CID 79986690) is N-(3,5-dimethyl-1-adamantyl)methanesulfonamide.
What is the SMILES notation for N-(3,5-dimethyl-1-adamantyl)methanesulfonamide?
The canonical SMILES for N-(3,5-dimethyl-1-adamantyl)methanesulfonamide is CC12CC3CC(C)(C1)CC(NS(C)(=O)=O)(C3)C2.
What is the InChIKey of N-(3,5-dimethyl-1-adamantyl)methanesulfonamide?
The InChIKey is BQDYNENQVZDZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S/c1-11-4-10-5-12(2,7-11)9-13(6-10,8-11)14-17(3,15)16/h10,14H,4-9H2,1-3H3.
What are the key properties of N-(3,5-dimethyl-1-adamantyl)methanesulfonamide?
N-(3,5-dimethyl-1-adamantyl)methanesulfonamide has a molecular weight of 257.40 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-adamantyl)methanesulfonamide is sourced from PubChem (CID 79986690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).