N-(1-cyanocycloheptyl)oxane-4-sulfonamide

C13H22N2O3S — CID 62048442

IUPACN-(1-cyanocycloheptyl)oxane-4-sulfonamide
SMILESN#CC1(NS(=O)(=O)C2CCOCC2)CCCCCC1
InChIInChI=1S/C13H22N2O3S/c14-11-13(7-3-1-2-4-8-13)15-19(16,17)12-5-9-18-10-6-12/h12,15H,1-10H2
InChIKeyIPKHMLFXXMBPPB-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.70
Rot. Bonds3

About N-(1-cyanocycloheptyl)oxane-4-sulfonamide

N-(1-cyanocycloheptyl)oxane-4-sulfonamide (PubChem CID 62048442) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(1-cyanocycloheptyl)oxane-4-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanocycloheptyl)oxane-4-sulfonamide
PubChem CID62048442
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN-(1-cyanocycloheptyl)oxane-4-sulfonamide
SMILESN#CC1(NS(=O)(=O)C2CCOCC2)CCCCCC1
InChIInChI=1S/C13H22N2O3S/c14-11-13(7-3-1-2-4-8-13)15-19(16,17)12-5-9-18-10-6-12/h12,15H,1-10H2
InChIKeyIPKHMLFXXMBPPB-UHFFFAOYSA-N
XLogP1.70
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocycloheptyl)oxane-4-sulfonamide?
The IUPAC name of N-(1-cyanocycloheptyl)oxane-4-sulfonamide (CID 62048442) is N-(1-cyanocycloheptyl)oxane-4-sulfonamide.
What is the SMILES notation for N-(1-cyanocycloheptyl)oxane-4-sulfonamide?
The canonical SMILES for N-(1-cyanocycloheptyl)oxane-4-sulfonamide is N#CC1(NS(=O)(=O)C2CCOCC2)CCCCCC1.
What is the InChIKey of N-(1-cyanocycloheptyl)oxane-4-sulfonamide?
The InChIKey is IPKHMLFXXMBPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c14-11-13(7-3-1-2-4-8-13)15-19(16,17)12-5-9-18-10-6-12/h12,15H,1-10H2.
What are the key properties of N-(1-cyanocycloheptyl)oxane-4-sulfonamide?
N-(1-cyanocycloheptyl)oxane-4-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocycloheptyl)oxane-4-sulfonamide is sourced from PubChem (CID 62048442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).