N-cyclooctylbutane-1-sulfonamide

C12H25NO2S — CID 6465776

IUPACN-cyclooctylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1CCCCCCC1
InChIInChI=1S/C12H25NO2S/c1-2-3-11-16(14,15)13-12-9-7-5-4-6-8-10-12/h12-13H,2-11H2,1H3
InChIKeyRYEZCYUIKJKZKA-UHFFFAOYSA-N
MW247.40 g/mol
LogP2.82
Rot. Bonds5

About N-cyclooctylbutane-1-sulfonamide

N-cyclooctylbutane-1-sulfonamide (PubChem CID 6465776) has the molecular formula C12H25NO2S and a molecular weight of 247.40 g/mol. Its IUPAC name is N-cyclooctylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-cyclooctylbutane-1-sulfonamide
PubChem CID6465776
Molecular FormulaC12H25NO2S
Molecular Weight247.40 g/mol
Exact Mass247.16
IUPAC NameN-cyclooctylbutane-1-sulfonamide
SMILESCCCCS(=O)(=O)NC1CCCCCCC1
InChIInChI=1S/C12H25NO2S/c1-2-3-11-16(14,15)13-12-9-7-5-4-6-8-10-12/h12-13H,2-11H2,1H3
InChIKeyRYEZCYUIKJKZKA-UHFFFAOYSA-N
XLogP2.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctylbutane-1-sulfonamide?
The IUPAC name of N-cyclooctylbutane-1-sulfonamide (CID 6465776) is N-cyclooctylbutane-1-sulfonamide.
What is the SMILES notation for N-cyclooctylbutane-1-sulfonamide?
The canonical SMILES for N-cyclooctylbutane-1-sulfonamide is CCCCS(=O)(=O)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctylbutane-1-sulfonamide?
The InChIKey is RYEZCYUIKJKZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2S/c1-2-3-11-16(14,15)13-12-9-7-5-4-6-8-10-12/h12-13H,2-11H2,1H3.
What are the key properties of N-cyclooctylbutane-1-sulfonamide?
N-cyclooctylbutane-1-sulfonamide has a molecular weight of 247.40 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctylbutane-1-sulfonamide is sourced from PubChem (CID 6465776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).