N-[1-(1-adamantyl)propyl]-1,5-dimethylpyrazole-4-sulfonamide

C18H29N3O2S — CID 22201508

IUPACN-[1-(1-adamantyl)propyl]-1,5-dimethylpyrazole-4-sulfonamide
SMILESCCC(NS(=O)(=O)c1cnn(C)c1C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H29N3O2S/c1-4-17(20-24(22,23)16-11-19-21(3)12(16)2)18-8-13-5-14(9-18)7-15(6-13)10-18/h11,13-15,17,20H,4-10H2,1-3H3
InChIKeyFEQUVJAUDVBJEV-UHFFFAOYSA-N
MW351.52 g/mol
LogP3.00
Rot. Bonds5

About N-[1-(1-adamantyl)propyl]-1,5-dimethylpyrazole-4-sulfonamide

N-[1-(1-adamantyl)propyl]-1,5-dimethylpyrazole-4-sulfonamide (PubChem CID 22201508) has the molecular formula C18H29N3O2S and a molecular weight of 351.52 g/mol. Its IUPAC name is N-[1-(1-adamantyl)propyl]-1,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(1-adamantyl)propyl]-1,5-dimethylpyrazole-4-sulfonamide
PubChem CID22201508
Molecular FormulaC18H29N3O2S
Molecular Weight351.52 g/mol
Exact Mass351.20
IUPAC NameN-[1-(1-adamantyl)propyl]-1,5-dimethylpyrazole-4-sulfonamide
SMILESCCC(NS(=O)(=O)c1cnn(C)c1C)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H29N3O2S/c1-4-17(20-24(22,23)16-11-19-21(3)12(16)2)18-8-13-5-14(9-18)7-15(6-13)10-18/h11,13-15,17,20H,4-10H2,1-3H3
InChIKeyFEQUVJAUDVBJEV-UHFFFAOYSA-N
XLogP3.00
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.52
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-adamantyl)propyl]-1,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[1-(1-adamantyl)propyl]-1,5-dimethylpyrazole-4-sulfonamide (CID 22201508) is N-[1-(1-adamantyl)propyl]-1,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-(1-adamantyl)propyl]-1,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[1-(1-adamantyl)propyl]-1,5-dimethylpyrazole-4-sulfonamide is CCC(NS(=O)(=O)c1cnn(C)c1C)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[1-(1-adamantyl)propyl]-1,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is FEQUVJAUDVBJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2S/c1-4-17(20-24(22,23)16-11-19-21(3)12(16)2)18-8-13-5-14(9-18)7-15(6-13)10-18/h11,13-15,17,20H,4-10H2,1-3H3.
What are the key properties of N-[1-(1-adamantyl)propyl]-1,5-dimethylpyrazole-4-sulfonamide?
N-[1-(1-adamantyl)propyl]-1,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 351.52 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-adamantyl)propyl]-1,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 22201508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).