N-(1-cyanocycloheptyl)cyclopropanesulfonamide

C11H18N2O2S — CID 64552209

IUPACN-(1-cyanocycloheptyl)cyclopropanesulfonamide
SMILESN#CC1(NS(=O)(=O)C2CC2)CCCCCC1
InChIInChI=1S/C11H18N2O2S/c12-9-11(7-3-1-2-4-8-11)13-16(14,15)10-5-6-10/h10,13H,1-8H2
InChIKeyYGDZHMCWHCKGRM-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.68
Rot. Bonds3

About N-(1-cyanocycloheptyl)cyclopropanesulfonamide

N-(1-cyanocycloheptyl)cyclopropanesulfonamide (PubChem CID 64552209) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is N-(1-cyanocycloheptyl)cyclopropanesulfonamide.

Molecular Properties

Compound NameN-(1-cyanocycloheptyl)cyclopropanesulfonamide
PubChem CID64552209
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC NameN-(1-cyanocycloheptyl)cyclopropanesulfonamide
SMILESN#CC1(NS(=O)(=O)C2CC2)CCCCCC1
InChIInChI=1S/C11H18N2O2S/c12-9-11(7-3-1-2-4-8-11)13-16(14,15)10-5-6-10/h10,13H,1-8H2
InChIKeyYGDZHMCWHCKGRM-UHFFFAOYSA-N
XLogP1.68
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocycloheptyl)cyclopropanesulfonamide?
The IUPAC name of N-(1-cyanocycloheptyl)cyclopropanesulfonamide (CID 64552209) is N-(1-cyanocycloheptyl)cyclopropanesulfonamide.
What is the SMILES notation for N-(1-cyanocycloheptyl)cyclopropanesulfonamide?
The canonical SMILES for N-(1-cyanocycloheptyl)cyclopropanesulfonamide is N#CC1(NS(=O)(=O)C2CC2)CCCCCC1.
What is the InChIKey of N-(1-cyanocycloheptyl)cyclopropanesulfonamide?
The InChIKey is YGDZHMCWHCKGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c12-9-11(7-3-1-2-4-8-11)13-16(14,15)10-5-6-10/h10,13H,1-8H2.
What are the key properties of N-(1-cyanocycloheptyl)cyclopropanesulfonamide?
N-(1-cyanocycloheptyl)cyclopropanesulfonamide has a molecular weight of 242.34 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocycloheptyl)cyclopropanesulfonamide is sourced from PubChem (CID 64552209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).