N-cyclooctylmethanesulfonamide

C9H19NO2S — CID 2930737

IUPACN-cyclooctylmethanesulfonamide
SMILESCS(=O)(=O)NC1CCCCCCC1
InChIInChI=1S/C9H19NO2S/c1-13(11,12)10-9-7-5-3-2-4-6-8-9/h9-10H,2-8H2,1H3
InChIKeyYEZIBVYRKAELOA-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.65
Rot. Bonds2

About N-cyclooctylmethanesulfonamide

N-cyclooctylmethanesulfonamide (PubChem CID 2930737) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is N-cyclooctylmethanesulfonamide.

Molecular Properties

Compound NameN-cyclooctylmethanesulfonamide
PubChem CID2930737
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC NameN-cyclooctylmethanesulfonamide
SMILESCS(=O)(=O)NC1CCCCCCC1
InChIInChI=1S/C9H19NO2S/c1-13(11,12)10-9-7-5-3-2-4-6-8-9/h9-10H,2-8H2,1H3
InChIKeyYEZIBVYRKAELOA-UHFFFAOYSA-N
XLogP1.65
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclooctylmethanesulfonamide?
The IUPAC name of N-cyclooctylmethanesulfonamide (CID 2930737) is N-cyclooctylmethanesulfonamide.
What is the SMILES notation for N-cyclooctylmethanesulfonamide?
The canonical SMILES for N-cyclooctylmethanesulfonamide is CS(=O)(=O)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctylmethanesulfonamide?
The InChIKey is YEZIBVYRKAELOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-13(11,12)10-9-7-5-3-2-4-6-8-9/h9-10H,2-8H2,1H3.
What are the key properties of N-cyclooctylmethanesulfonamide?
N-cyclooctylmethanesulfonamide has a molecular weight of 205.32 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctylmethanesulfonamide is sourced from PubChem (CID 2930737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).