N-(1-adamantyl)propane-1-sulfonamide

C13H23NO2S — CID 51172582

IUPACN-(1-adamantyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H23NO2S/c1-2-3-17(15,16)14-13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12,14H,2-9H2,1H3
InChIKeyWHMUNHJVJJKKMF-UHFFFAOYSA-N
MW257.40 g/mol
LogP2.28
Rot. Bonds4

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

N-(1-adamantyl)propane-1-sulfonamide (PubChem CID 51172582) has the molecular formula C13H23NO2S and a molecular weight of 257.40 g/mol. Its IUPAC name is N-(1-adamantyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(1-adamantyl)propane-1-sulfonamide
PubChem CID51172582
Molecular FormulaC13H23NO2S
Molecular Weight257.40 g/mol
Exact Mass257.14
IUPAC NameN-(1-adamantyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C13H23NO2S/c1-2-3-17(15,16)14-13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12,14H,2-9H2,1H3
InChIKeyWHMUNHJVJJKKMF-UHFFFAOYSA-N
XLogP2.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)propane-1-sulfonamide?
The IUPAC name of N-(1-adamantyl)propane-1-sulfonamide (CID 51172582) is N-(1-adamantyl)propane-1-sulfonamide.
What is the SMILES notation for N-(1-adamantyl)propane-1-sulfonamide?
The canonical SMILES for N-(1-adamantyl)propane-1-sulfonamide is CCCS(=O)(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)propane-1-sulfonamide?
The InChIKey is WHMUNHJVJJKKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2S/c1-2-3-17(15,16)14-13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12,14H,2-9H2,1H3.
What are the key properties of N-(1-adamantyl)propane-1-sulfonamide?
N-(1-adamantyl)propane-1-sulfonamide has a molecular weight of 257.40 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)propane-1-sulfonamide is sourced from PubChem (CID 51172582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).