N-(1-cyanocycloheptyl)-2-methoxyethanesulfonamide

C11H20N2O3S — CID 55014582

IUPACN-(1-cyanocycloheptyl)-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NC1(C#N)CCCCCC1
InChIInChI=1S/C11H20N2O3S/c1-16-8-9-17(14,15)13-11(10-12)6-4-2-3-5-7-11/h13H,2-9H2,1H3
InChIKeySZTZDUIYCOMOCD-UHFFFAOYSA-N
MW260.36 g/mol
LogP1.17
Rot. Bonds5

About N-(1-cyanocycloheptyl)-2-methoxyethanesulfonamide

N-(1-cyanocycloheptyl)-2-methoxyethanesulfonamide (PubChem CID 55014582) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(1-cyanocycloheptyl)-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-(1-cyanocycloheptyl)-2-methoxyethanesulfonamide
PubChem CID55014582
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC NameN-(1-cyanocycloheptyl)-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)NC1(C#N)CCCCCC1
InChIInChI=1S/C11H20N2O3S/c1-16-8-9-17(14,15)13-11(10-12)6-4-2-3-5-7-11/h13H,2-9H2,1H3
InChIKeySZTZDUIYCOMOCD-UHFFFAOYSA-N
XLogP1.17
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-cyanocycloheptyl)-2-methoxyethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocycloheptyl)-2-methoxyethanesulfonamide?
The IUPAC name of N-(1-cyanocycloheptyl)-2-methoxyethanesulfonamide (CID 55014582) is N-(1-cyanocycloheptyl)-2-methoxyethanesulfonamide.
What is the SMILES notation for N-(1-cyanocycloheptyl)-2-methoxyethanesulfonamide?
The canonical SMILES for N-(1-cyanocycloheptyl)-2-methoxyethanesulfonamide is COCCS(=O)(=O)NC1(C#N)CCCCCC1.
What is the InChIKey of N-(1-cyanocycloheptyl)-2-methoxyethanesulfonamide?
The InChIKey is SZTZDUIYCOMOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-16-8-9-17(14,15)13-11(10-12)6-4-2-3-5-7-11/h13H,2-9H2,1H3.
What are the key properties of N-(1-cyanocycloheptyl)-2-methoxyethanesulfonamide?
N-(1-cyanocycloheptyl)-2-methoxyethanesulfonamide has a molecular weight of 260.36 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocycloheptyl)-2-methoxyethanesulfonamide is sourced from PubChem (CID 55014582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).