N-cycloheptyl-2,6-dimethylmorpholine-4-sulfonamide

C13H26N2O3S — CID 42936390

IUPACN-cycloheptyl-2,6-dimethylmorpholine-4-sulfonamide
SMILESCC1CN(S(=O)(=O)NC2CCCCCC2)CC(C)O1
InChIInChI=1S/C13H26N2O3S/c1-11-9-15(10-12(2)18-11)19(16,17)14-13-7-5-3-4-6-8-13/h11-14H,3-10H2,1-2H3
InChIKeyJMGNJAZWKXIZHU-UHFFFAOYSA-N
MW290.43 g/mol
LogP1.65
Rot. Bonds3

About N-cycloheptyl-2,6-dimethylmorpholine-4-sulfonamide

N-cycloheptyl-2,6-dimethylmorpholine-4-sulfonamide (PubChem CID 42936390) has the molecular formula C13H26N2O3S and a molecular weight of 290.43 g/mol. Its IUPAC name is N-cycloheptyl-2,6-dimethylmorpholine-4-sulfonamide.

Molecular Properties

Compound NameN-cycloheptyl-2,6-dimethylmorpholine-4-sulfonamide
PubChem CID42936390
Molecular FormulaC13H26N2O3S
Molecular Weight290.43 g/mol
Exact Mass290.17
IUPAC NameN-cycloheptyl-2,6-dimethylmorpholine-4-sulfonamide
SMILESCC1CN(S(=O)(=O)NC2CCCCCC2)CC(C)O1
InChIInChI=1S/C13H26N2O3S/c1-11-9-15(10-12(2)18-11)19(16,17)14-13-7-5-3-4-6-8-13/h11-14H,3-10H2,1-2H3
InChIKeyJMGNJAZWKXIZHU-UHFFFAOYSA-N
XLogP1.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2,6-dimethylmorpholine-4-sulfonamide?
The IUPAC name of N-cycloheptyl-2,6-dimethylmorpholine-4-sulfonamide (CID 42936390) is N-cycloheptyl-2,6-dimethylmorpholine-4-sulfonamide.
What is the SMILES notation for N-cycloheptyl-2,6-dimethylmorpholine-4-sulfonamide?
The canonical SMILES for N-cycloheptyl-2,6-dimethylmorpholine-4-sulfonamide is CC1CN(S(=O)(=O)NC2CCCCCC2)CC(C)O1.
What is the InChIKey of N-cycloheptyl-2,6-dimethylmorpholine-4-sulfonamide?
The InChIKey is JMGNJAZWKXIZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3S/c1-11-9-15(10-12(2)18-11)19(16,17)14-13-7-5-3-4-6-8-13/h11-14H,3-10H2,1-2H3.
What are the key properties of N-cycloheptyl-2,6-dimethylmorpholine-4-sulfonamide?
N-cycloheptyl-2,6-dimethylmorpholine-4-sulfonamide has a molecular weight of 290.43 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2,6-dimethylmorpholine-4-sulfonamide is sourced from PubChem (CID 42936390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).