N-(1-adamantyl)butane-1-sulfonamide

C14H25NO2S — CID 19681560

IUPACN-(1-adamantyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H25NO2S/c1-2-3-4-18(16,17)15-14-8-11-5-12(9-14)7-13(6-11)10-14/h11-13,15H,2-10H2,1H3
InChIKeyFEYJAHWPHKNQJE-UHFFFAOYSA-N
MW271.43 g/mol
LogP2.67
Rot. Bonds5

About N-(1-adamantyl)butane-1-sulfonamide

N-(1-adamantyl)butane-1-sulfonamide (PubChem CID 19681560) has the molecular formula C14H25NO2S and a molecular weight of 271.43 g/mol. Its IUPAC name is N-(1-adamantyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-adamantyl)butane-1-sulfonamide
PubChem CID19681560
Molecular FormulaC14H25NO2S
Molecular Weight271.43 g/mol
Exact Mass271.16
IUPAC NameN-(1-adamantyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C14H25NO2S/c1-2-3-4-18(16,17)15-14-8-11-5-12(9-14)7-13(6-11)10-14/h11-13,15H,2-10H2,1H3
InChIKeyFEYJAHWPHKNQJE-UHFFFAOYSA-N
XLogP2.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)butane-1-sulfonamide?
The IUPAC name of N-(1-adamantyl)butane-1-sulfonamide (CID 19681560) is N-(1-adamantyl)butane-1-sulfonamide.
What is the SMILES notation for N-(1-adamantyl)butane-1-sulfonamide?
The canonical SMILES for N-(1-adamantyl)butane-1-sulfonamide is CCCCS(=O)(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)butane-1-sulfonamide?
The InChIKey is FEYJAHWPHKNQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2S/c1-2-3-4-18(16,17)15-14-8-11-5-12(9-14)7-13(6-11)10-14/h11-13,15H,2-10H2,1H3.
What are the key properties of N-(1-adamantyl)butane-1-sulfonamide?
N-(1-adamantyl)butane-1-sulfonamide has a molecular weight of 271.43 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)butane-1-sulfonamide is sourced from PubChem (CID 19681560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).