N-(2-methyl-2-adamantyl)-1-phenylmethanesulfonamide

C18H25NO2S — CID 137482568

IUPACN-(2-methyl-2-adamantyl)-1-phenylmethanesulfonamide
SMILESCC1(NS(=O)(=O)Cc2ccccc2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H25NO2S/c1-18(16-8-14-7-15(10-16)11-17(18)9-14)19-22(20,21)12-13-5-3-2-4-6-13/h2-6,14-17,19H,7-12H2,1H3
InChIKeySFWNAGMBKFRBNJ-UHFFFAOYSA-N
MW319.47 g/mol
LogP3.32
Rot. Bonds4

About N-(2-methyl-2-adamantyl)-1-phenylmethanesulfonamide

N-(2-methyl-2-adamantyl)-1-phenylmethanesulfonamide (PubChem CID 137482568) has the molecular formula C18H25NO2S and a molecular weight of 319.47 g/mol. Its IUPAC name is N-(2-methyl-2-adamantyl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-methyl-2-adamantyl)-1-phenylmethanesulfonamide
PubChem CID137482568
Molecular FormulaC18H25NO2S
Molecular Weight319.47 g/mol
Exact Mass319.16
IUPAC NameN-(2-methyl-2-adamantyl)-1-phenylmethanesulfonamide
SMILESCC1(NS(=O)(=O)Cc2ccccc2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C18H25NO2S/c1-18(16-8-14-7-15(10-16)11-17(18)9-14)19-22(20,21)12-13-5-3-2-4-6-13/h2-6,14-17,19H,7-12H2,1H3
InChIKeySFWNAGMBKFRBNJ-UHFFFAOYSA-N
XLogP3.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.47
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-7-ethyl-2-methyl-2-bicyclo[3.3.1]nonanyl]-1-phenylmethanesulfonamide
CID 122499363
N-(2-adamantylmethyl)-1-phenylmethanesulfonamide
CID 134195096
N-[(1S)-2-methyl-1-phenylpropyl]-1-phenylmethanesulfonamide
CID 33038977
N-(2-chloropropyl)-1-phenylmethanesulfonamide
CID 65033175
N-(1-adamantyl)-1-(4-chlorophenyl)methanesulfonamide
CID 18891425
1-(4-fluorophenyl)-N-[(2-methoxy-2-adamantyl)methyl]methanesulfonamide
CID 90624217
N-iodo-1-phenylmethanesulfonamide
CID 88874569
N-(methylideneamino)-1-phenylmethanesulfonamide
CID 141191936
N-(3-hydroxy-5,5-dimethylcyclohexen-1-yl)-1-phenylmethanesulfonamide
CID 134387084
N-(bromomethyl)-1-phenylmethanesulfonamide
CID 174927038
N-benzyl-2,2-dimethyladamantan-1-amine
CID 71452180
N-(2-bromo-2-cyclopropylethyl)-1-phenylmethanesulfonamide
CID 114294608

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-adamantyl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(2-methyl-2-adamantyl)-1-phenylmethanesulfonamide (CID 137482568) is N-(2-methyl-2-adamantyl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(2-methyl-2-adamantyl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(2-methyl-2-adamantyl)-1-phenylmethanesulfonamide is CC1(NS(=O)(=O)Cc2ccccc2)C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-methyl-2-adamantyl)-1-phenylmethanesulfonamide?
The InChIKey is SFWNAGMBKFRBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2S/c1-18(16-8-14-7-15(10-16)11-17(18)9-14)19-22(20,21)12-13-5-3-2-4-6-13/h2-6,14-17,19H,7-12H2,1H3.
What are the key properties of N-(2-methyl-2-adamantyl)-1-phenylmethanesulfonamide?
N-(2-methyl-2-adamantyl)-1-phenylmethanesulfonamide has a molecular weight of 319.47 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-adamantyl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 137482568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).