N-[1-(aminomethyl)-4-ethylcyclohexyl]morpholine-4-sulfonamide

C13H27N3O3S — CID 28940738

IUPACN-[1-(aminomethyl)-4-ethylcyclohexyl]morpholine-4-sulfonamide
SMILESCCC1CCC(CN)(NS(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C13H27N3O3S/c1-2-12-3-5-13(11-14,6-4-12)15-20(17,18)16-7-9-19-10-8-16/h12,15H,2-11,14H2,1H3
InChIKeyOSMMMNRYLSGBNA-UHFFFAOYSA-N
MW305.44 g/mol
LogP0.45
Rot. Bonds5

About N-[1-(aminomethyl)-4-ethylcyclohexyl]morpholine-4-sulfonamide

N-[1-(aminomethyl)-4-ethylcyclohexyl]morpholine-4-sulfonamide (PubChem CID 28940738) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-ethylcyclohexyl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-ethylcyclohexyl]morpholine-4-sulfonamide
PubChem CID28940738
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC NameN-[1-(aminomethyl)-4-ethylcyclohexyl]morpholine-4-sulfonamide
SMILESCCC1CCC(CN)(NS(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C13H27N3O3S/c1-2-12-3-5-13(11-14,6-4-12)15-20(17,18)16-7-9-19-10-8-16/h12,15H,2-11,14H2,1H3
InChIKeyOSMMMNRYLSGBNA-UHFFFAOYSA-N
XLogP0.45
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)cyclooctyl]morpholine-4-sulfonamide
CID 28940608
N-(1-cyano-4-ethylcyclohexyl)morpholine-4-sulfonamide
CID 61121906
1-(aminomethyl)-4-ethyl-1-(sulfamoylamino)cyclohexane
CID 28940754
N-[1-(aminomethyl)-4-methylcyclohexyl]pyrrolidine-1-sulfonamide
CID 28940696
N-[1-(aminomethyl)-3-ethylcyclopentyl]morpholin-4-amine
CID 83013895
1-(aminomethyl)-4-ethyl-N-(propan-2-ylsulfamoyl)cyclohexan-1-amine
CID 114803370
N-[1-(aminomethyl)-4-ethylcyclohexyl]-3-methylbutane-1-sulfonamide
CID 63834732
N-[1-(bromomethyl)cyclopentyl]morpholine-4-sulfonamide
CID 114297103
N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methylpyrazole-3-sulfonamide
CID 104709256
N-[1-(hydroxymethyl)cyclohexyl]morpholine-4-sulfonamide
CID 62520072
N-[1-(aminomethyl)-4-ethylcyclohexyl]-1H-pyrazole-4-sulfonamide
CID 54937046
2-[1-(morpholin-4-ylsulfonylamino)cyclohexyl]acetic acid
CID 64699977

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-ethylcyclohexyl]morpholine-4-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)-4-ethylcyclohexyl]morpholine-4-sulfonamide (CID 28940738) is N-[1-(aminomethyl)-4-ethylcyclohexyl]morpholine-4-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-ethylcyclohexyl]morpholine-4-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-4-ethylcyclohexyl]morpholine-4-sulfonamide is CCC1CCC(CN)(NS(=O)(=O)N2CCOCC2)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-ethylcyclohexyl]morpholine-4-sulfonamide?
The InChIKey is OSMMMNRYLSGBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3S/c1-2-12-3-5-13(11-14,6-4-12)15-20(17,18)16-7-9-19-10-8-16/h12,15H,2-11,14H2,1H3.
What are the key properties of N-[1-(aminomethyl)-4-ethylcyclohexyl]morpholine-4-sulfonamide?
N-[1-(aminomethyl)-4-ethylcyclohexyl]morpholine-4-sulfonamide has a molecular weight of 305.44 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-ethylcyclohexyl]morpholine-4-sulfonamide is sourced from PubChem (CID 28940738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).