N-(1-cyanocyclohexyl)morpholine-4-sulfonamide

C11H19N3O3S — CID 60714257

IUPACN-(1-cyanocyclohexyl)morpholine-4-sulfonamide
SMILESN#CC1(NS(=O)(=O)N2CCOCC2)CCCCC1
InChIInChI=1S/C11H19N3O3S/c12-10-11(4-2-1-3-5-11)13-18(15,16)14-6-8-17-9-7-14/h13H,1-9H2
InChIKeyFJGZXIRCYOLCIR-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.38
Rot. Bonds3

About N-(1-cyanocyclohexyl)morpholine-4-sulfonamide

N-(1-cyanocyclohexyl)morpholine-4-sulfonamide (PubChem CID 60714257) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)morpholine-4-sulfonamide
PubChem CID60714257
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC NameN-(1-cyanocyclohexyl)morpholine-4-sulfonamide
SMILESN#CC1(NS(=O)(=O)N2CCOCC2)CCCCC1
InChIInChI=1S/C11H19N3O3S/c12-10-11(4-2-1-3-5-11)13-18(15,16)14-6-8-17-9-7-14/h13H,1-9H2
InChIKeyFJGZXIRCYOLCIR-UHFFFAOYSA-N
XLogP0.38
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)morpholine-4-sulfonamide?
The IUPAC name of N-(1-cyanocyclohexyl)morpholine-4-sulfonamide (CID 60714257) is N-(1-cyanocyclohexyl)morpholine-4-sulfonamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)morpholine-4-sulfonamide?
The canonical SMILES for N-(1-cyanocyclohexyl)morpholine-4-sulfonamide is N#CC1(NS(=O)(=O)N2CCOCC2)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)morpholine-4-sulfonamide?
The InChIKey is FJGZXIRCYOLCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c12-10-11(4-2-1-3-5-11)13-18(15,16)14-6-8-17-9-7-14/h13H,1-9H2.
What are the key properties of N-(1-cyanocyclohexyl)morpholine-4-sulfonamide?
N-(1-cyanocyclohexyl)morpholine-4-sulfonamide has a molecular weight of 273.36 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)morpholine-4-sulfonamide is sourced from PubChem (CID 60714257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).