N-cycloheptylethanesulfonamide

C9H19NO2S — CID 844369

IUPACN-cycloheptylethanesulfonamide
SMILESCCS(=O)(=O)NC1CCCCCC1
InChIInChI=1S/C9H19NO2S/c1-2-13(11,12)10-9-7-5-3-4-6-8-9/h9-10H,2-8H2,1H3
InChIKeyYLBYMHCGGQDWRQ-UHFFFAOYSA-N
MW205.32 g/mol
LogP1.65
Rot. Bonds3

About N-cycloheptylethanesulfonamide

N-cycloheptylethanesulfonamide (PubChem CID 844369) has the molecular formula C9H19NO2S and a molecular weight of 205.32 g/mol. Its IUPAC name is N-cycloheptylethanesulfonamide.

Molecular Properties

Compound NameN-cycloheptylethanesulfonamide
PubChem CID844369
Molecular FormulaC9H19NO2S
Molecular Weight205.32 g/mol
Exact Mass205.11
IUPAC NameN-cycloheptylethanesulfonamide
SMILESCCS(=O)(=O)NC1CCCCCC1
InChIInChI=1S/C9H19NO2S/c1-2-13(11,12)10-9-7-5-3-4-6-8-9/h9-10H,2-8H2,1H3
InChIKeyYLBYMHCGGQDWRQ-UHFFFAOYSA-N
XLogP1.65
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-cycloheptylethanesulfonamide?
The IUPAC name of N-cycloheptylethanesulfonamide (CID 844369) is N-cycloheptylethanesulfonamide.
What is the SMILES notation for N-cycloheptylethanesulfonamide?
The canonical SMILES for N-cycloheptylethanesulfonamide is CCS(=O)(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptylethanesulfonamide?
The InChIKey is YLBYMHCGGQDWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2S/c1-2-13(11,12)10-9-7-5-3-4-6-8-9/h9-10H,2-8H2,1H3.
What are the key properties of N-cycloheptylethanesulfonamide?
N-cycloheptylethanesulfonamide has a molecular weight of 205.32 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptylethanesulfonamide is sourced from PubChem (CID 844369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).