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

C13H27N3O3S — CID 28940608

IUPACN-[1-(aminomethyl)cyclooctyl]morpholine-4-sulfonamide
SMILESNCC1(NS(=O)(=O)N2CCOCC2)CCCCCCC1
InChIInChI=1S/C13H27N3O3S/c14-12-13(6-4-2-1-3-5-7-13)15-20(17,18)16-8-10-19-11-9-16/h15H,1-12,14H2
InChIKeyINNVHIQGOQMSLA-UHFFFAOYSA-N
MW305.44 g/mol
LogP0.59
Rot. Bonds4

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

N-[1-(aminomethyl)cyclooctyl]morpholine-4-sulfonamide (PubChem CID 28940608) has the molecular formula C13H27N3O3S and a molecular weight of 305.44 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclooctyl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclooctyl]morpholine-4-sulfonamide
PubChem CID28940608
Molecular FormulaC13H27N3O3S
Molecular Weight305.44 g/mol
Exact Mass305.18
IUPAC NameN-[1-(aminomethyl)cyclooctyl]morpholine-4-sulfonamide
SMILESNCC1(NS(=O)(=O)N2CCOCC2)CCCCCCC1
InChIInChI=1S/C13H27N3O3S/c14-12-13(6-4-2-1-3-5-7-13)15-20(17,18)16-8-10-19-11-9-16/h15H,1-12,14H2
InChIKeyINNVHIQGOQMSLA-UHFFFAOYSA-N
XLogP0.59
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(hydroxymethyl)cyclohexyl]morpholine-4-sulfonamide
CID 62520072
N-[1-(bromomethyl)cyclopentyl]morpholine-4-sulfonamide
CID 114297103
2-[1-(morpholin-4-ylsulfonylamino)cyclohexyl]acetic acid
CID 64699977
N-[1-(aminomethyl)-4-ethylcyclohexyl]morpholine-4-sulfonamide
CID 28940738
N-[(1-aminocyclohexyl)methyl]morpholine-4-sulfonamide;hydrochloride
CID 119958830
N-[1-(aminomethyl)-4-methylcyclohexyl]pyrrolidine-1-sulfonamide
CID 28940696
1-(morpholin-4-ylsulfonylamino)cyclobutane-1-carboxylic acid
CID 81165451
1-(aminomethyl)-N-(methylsulfamoyl)cycloheptan-1-amine
CID 114803362
N-bromomorpholine-4-sulfonamide
CID 117126249
N-[1-(aminomethyl)cyclooctyl]cyclohexanesulfonamide
CID 61065631
N-[1-(aminomethyl)cyclopentyl]-2-methylpropane-2-sulfonamide
CID 63687829
4-(aminomethyl)-4-(dimethylsulfamoylamino)oxane
CID 106297876

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclooctyl]morpholine-4-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclooctyl]morpholine-4-sulfonamide (CID 28940608) is N-[1-(aminomethyl)cyclooctyl]morpholine-4-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclooctyl]morpholine-4-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclooctyl]morpholine-4-sulfonamide is NCC1(NS(=O)(=O)N2CCOCC2)CCCCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclooctyl]morpholine-4-sulfonamide?
The InChIKey is INNVHIQGOQMSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3S/c14-12-13(6-4-2-1-3-5-7-13)15-20(17,18)16-8-10-19-11-9-16/h15H,1-12,14H2.
What are the key properties of N-[1-(aminomethyl)cyclooctyl]morpholine-4-sulfonamide?
N-[1-(aminomethyl)cyclooctyl]morpholine-4-sulfonamide has a molecular weight of 305.44 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclooctyl]morpholine-4-sulfonamide is sourced from PubChem (CID 28940608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).