N-(4-tert-butyl-1-adamantyl)methanesulfonamide

C15H27NO2S — CID 134204474

IUPACN-(4-tert-butyl-1-adamantyl)methanesulfonamide
SMILESCC(C)(C)C1C2CC3CC1CC(NS(C)(=O)=O)(C3)C2
InChIInChI=1S/C15H27NO2S/c1-14(2,3)13-11-5-10-6-12(13)9-15(7-10,8-11)16-19(4,17)18/h10-13,16H,5-9H2,1-4H3
InChIKeyYPCJTXQOJSZPHS-UHFFFAOYSA-N
MW285.45 g/mol
LogP2.78
Rot. Bonds2

About N-(4-tert-butyl-1-adamantyl)methanesulfonamide

N-(4-tert-butyl-1-adamantyl)methanesulfonamide (PubChem CID 134204474) has the molecular formula C15H27NO2S and a molecular weight of 285.45 g/mol. Its IUPAC name is N-(4-tert-butyl-1-adamantyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1-adamantyl)methanesulfonamide
PubChem CID134204474
Molecular FormulaC15H27NO2S
Molecular Weight285.45 g/mol
Exact Mass285.18
IUPAC NameN-(4-tert-butyl-1-adamantyl)methanesulfonamide
SMILESCC(C)(C)C1C2CC3CC1CC(NS(C)(=O)=O)(C3)C2
InChIInChI=1S/C15H27NO2S/c1-14(2,3)13-11-5-10-6-12(13)9-15(7-10,8-11)16-19(4,17)18/h10-13,16H,5-9H2,1-4H3
InChIKeyYPCJTXQOJSZPHS-UHFFFAOYSA-N
XLogP2.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.45
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1-adamantyl)methanesulfonamide?
The IUPAC name of N-(4-tert-butyl-1-adamantyl)methanesulfonamide (CID 134204474) is N-(4-tert-butyl-1-adamantyl)methanesulfonamide.
What is the SMILES notation for N-(4-tert-butyl-1-adamantyl)methanesulfonamide?
The canonical SMILES for N-(4-tert-butyl-1-adamantyl)methanesulfonamide is CC(C)(C)C1C2CC3CC1CC(NS(C)(=O)=O)(C3)C2.
What is the InChIKey of N-(4-tert-butyl-1-adamantyl)methanesulfonamide?
The InChIKey is YPCJTXQOJSZPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2S/c1-14(2,3)13-11-5-10-6-12(13)9-15(7-10,8-11)16-19(4,17)18/h10-13,16H,5-9H2,1-4H3.
What are the key properties of N-(4-tert-butyl-1-adamantyl)methanesulfonamide?
N-(4-tert-butyl-1-adamantyl)methanesulfonamide has a molecular weight of 285.45 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1-adamantyl)methanesulfonamide is sourced from PubChem (CID 134204474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).