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-ethylcyclohexyl]morpholine-4-sulfonamide
CID 28940738
1-cyano-1-(diethylsulfamoylamino)-4-ethylcyclohexane
CID 61124092
N-(1-cyano-4-ethylcyclohexyl)cyclohexanesulfonamide
CID 61125083
4-ethyl-1-(methylamino)cyclohexane-1-carbonitrile
CID 43115038
1-(butan-2-ylamino)-4-ethylcyclohexane-1-carbonitrile
CID 61023499
propan-2-yl N-[(1-cyano-4-ethylcyclohexyl)sulfamoyl]carbamate
CID 114463344
N-(1-cyano-4-ethylcyclohexyl)acetamide
CID 61120751
N-(1-cyano-4-ethylcyclohexyl)-4-methylpiperidine-1-carboxamide
CID 79160127
N-(1-cyano-4-ethylcyclohexyl)-2-methyloxolane-3-carboxamide
CID 79759562
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-4-methylpiperidine-1-sulfonamide
CID 65121840
N-[1-(bromomethyl)cyclopentyl]morpholine-4-sulfonamide
CID 114297103
N-(4-cyano-1-methylpiperidin-4-yl)-1-(oxolan-2-yl)methanesulfonamide
CID 55173730

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).