N-(1-cyano-4-ethylcyclohexyl)morpholine-4-sulfonamide

C13H23N3O3S — CID 61121906

IUPACN-(1-cyano-4-ethylcyclohexyl)morpholine-4-sulfonamide
SMILESCCC1CCC(C#N)(NS(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C13H23N3O3S/c1-2-12-3-5-13(11-14,6-4-12)15-20(17,18)16-7-9-19-10-8-16/h12,15H,2-10H2,1H3
InChIKeyONEJKIQDBDHPJQ-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.02
Rot. Bonds4

About N-(1-cyano-4-ethylcyclohexyl)morpholine-4-sulfonamide

N-(1-cyano-4-ethylcyclohexyl)morpholine-4-sulfonamide (PubChem CID 61121906) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is N-(1-cyano-4-ethylcyclohexyl)morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-(1-cyano-4-ethylcyclohexyl)morpholine-4-sulfonamide
PubChem CID61121906
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC NameN-(1-cyano-4-ethylcyclohexyl)morpholine-4-sulfonamide
SMILESCCC1CCC(C#N)(NS(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C13H23N3O3S/c1-2-12-3-5-13(11-14,6-4-12)15-20(17,18)16-7-9-19-10-8-16/h12,15H,2-10H2,1H3
InChIKeyONEJKIQDBDHPJQ-UHFFFAOYSA-N
XLogP1.02
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)-4-methylcyclohexyl]morpholine-4-sulfonamide
CID 28940698
N-[1-(aminomethyl)-4-ethylcyclohexyl]morpholine-4-sulfonamide
CID 28940738
N-(1-cyanocyclohexyl)morpholine-4-sulfonamide
CID 60714257
4-Ethyl-1-(morpholin-4-ylsulfonylamino)cyclohexane-1-carbothioamide
CID 61122279
N-(1-cyanocycloheptyl)morpholine-4-sulfonamide
CID 61123501
N-(1-cyano-4-methylcyclohexyl)morpholine-4-sulfonamide
CID 61124284
N-[cyano(cyclohexyl)methyl]morpholine-4-sulfonamide
CID 61124526
N-(1-cyanocyclooctyl)morpholine-4-sulfonamide
CID 61133207
N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-methylmorpholine-4-sulfonamide
CID 62008816
4-Ethyl-1-(2-methoxyethylsulfamoylamino)cyclohexane-1-carbonitrile
CID 114815073

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-4-ethylcyclohexyl)morpholine-4-sulfonamide?
The IUPAC name of N-(1-cyano-4-ethylcyclohexyl)morpholine-4-sulfonamide (CID 61121906) is N-(1-cyano-4-ethylcyclohexyl)morpholine-4-sulfonamide.
What is the SMILES notation for N-(1-cyano-4-ethylcyclohexyl)morpholine-4-sulfonamide?
The canonical SMILES for N-(1-cyano-4-ethylcyclohexyl)morpholine-4-sulfonamide is CCC1CCC(C#N)(NS(=O)(=O)N2CCOCC2)CC1.
What is the InChIKey of N-(1-cyano-4-ethylcyclohexyl)morpholine-4-sulfonamide?
The InChIKey is ONEJKIQDBDHPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-2-12-3-5-13(11-14,6-4-12)15-20(17,18)16-7-9-19-10-8-16/h12,15H,2-10H2,1H3.
What are the key properties of N-(1-cyano-4-ethylcyclohexyl)morpholine-4-sulfonamide?
N-(1-cyano-4-ethylcyclohexyl)morpholine-4-sulfonamide has a molecular weight of 301.41 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-4-ethylcyclohexyl)morpholine-4-sulfonamide is sourced from PubChem (CID 61121906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).