N-[cyano(cyclohexyl)methyl]morpholine-4-sulfonamide

C12H21N3O3S — CID 61124526

IUPACN-[cyano(cyclohexyl)methyl]morpholine-4-sulfonamide
SMILESN#CC(NS(=O)(=O)N1CCOCC1)C1CCCCC1
InChIInChI=1S/C12H21N3O3S/c13-10-12(11-4-2-1-3-5-11)14-19(16,17)15-6-8-18-9-7-15/h11-12,14H,1-9H2
InChIKeyZPPQGBTUWRQOKF-UHFFFAOYSA-N
MW287.39 g/mol
LogP0.63
Rot. Bonds4

About N-[cyano(cyclohexyl)methyl]morpholine-4-sulfonamide

N-[cyano(cyclohexyl)methyl]morpholine-4-sulfonamide (PubChem CID 61124526) has the molecular formula C12H21N3O3S and a molecular weight of 287.39 g/mol. Its IUPAC name is N-[cyano(cyclohexyl)methyl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[cyano(cyclohexyl)methyl]morpholine-4-sulfonamide
PubChem CID61124526
Molecular FormulaC12H21N3O3S
Molecular Weight287.39 g/mol
Exact Mass287.13
IUPAC NameN-[cyano(cyclohexyl)methyl]morpholine-4-sulfonamide
SMILESN#CC(NS(=O)(=O)N1CCOCC1)C1CCCCC1
InChIInChI=1S/C12H21N3O3S/c13-10-12(11-4-2-1-3-5-11)14-19(16,17)15-6-8-18-9-7-15/h11-12,14H,1-9H2
InChIKeyZPPQGBTUWRQOKF-UHFFFAOYSA-N
XLogP0.63
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[cyano(cyclohexyl)methyl]morpholine-4-sulfonamide?
The IUPAC name of N-[cyano(cyclohexyl)methyl]morpholine-4-sulfonamide (CID 61124526) is N-[cyano(cyclohexyl)methyl]morpholine-4-sulfonamide.
What is the SMILES notation for N-[cyano(cyclohexyl)methyl]morpholine-4-sulfonamide?
The canonical SMILES for N-[cyano(cyclohexyl)methyl]morpholine-4-sulfonamide is N#CC(NS(=O)(=O)N1CCOCC1)C1CCCCC1.
What is the InChIKey of N-[cyano(cyclohexyl)methyl]morpholine-4-sulfonamide?
The InChIKey is ZPPQGBTUWRQOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c13-10-12(11-4-2-1-3-5-11)14-19(16,17)15-6-8-18-9-7-15/h11-12,14H,1-9H2.
What are the key properties of N-[cyano(cyclohexyl)methyl]morpholine-4-sulfonamide?
N-[cyano(cyclohexyl)methyl]morpholine-4-sulfonamide has a molecular weight of 287.39 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(cyclohexyl)methyl]morpholine-4-sulfonamide is sourced from PubChem (CID 61124526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).