1-(aminomethyl)-1-(sulfamoylamino)cyclooctane

C9H21N3O2S — CID 28940624

IUPAC1-(aminomethyl)-1-(sulfamoylamino)cyclooctane
SMILESNCC1(NS(N)(=O)=O)CCCCCCC1
InChIInChI=1S/C9H21N3O2S/c10-8-9(12-15(11,13)14)6-4-2-1-3-5-7-9/h12H,1-8,10H2,(H2,11,13,14)
InChIKeyLJCXMZLMRYBSEN-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.22
Rot. Bonds3

About 1-(aminomethyl)-1-(sulfamoylamino)cyclooctane

1-(aminomethyl)-1-(sulfamoylamino)cyclooctane (PubChem CID 28940624) has the molecular formula C9H21N3O2S and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-(aminomethyl)-1-(sulfamoylamino)cyclooctane.

Molecular Properties

Compound Name1-(aminomethyl)-1-(sulfamoylamino)cyclooctane
PubChem CID28940624
Molecular FormulaC9H21N3O2S
Molecular Weight235.35 g/mol
Exact Mass235.14
IUPAC Name1-(aminomethyl)-1-(sulfamoylamino)cyclooctane
SMILESNCC1(NS(N)(=O)=O)CCCCCCC1
InChIInChI=1S/C9H21N3O2S/c10-8-9(12-15(11,13)14)6-4-2-1-3-5-7-9/h12H,1-8,10H2,(H2,11,13,14)
InChIKeyLJCXMZLMRYBSEN-UHFFFAOYSA-N
XLogP0.22
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclooctan-1-amine
CID 114803352
1-(Aminomethyl)cyclooctan-1-amine
CID 3062925
1-(Aminomethyl)-1-(dimethylsulfamoylamino)cyclooctane
CID 28940596
N-[1-(aminomethyl)cyclooctyl]pyrrolidine-1-sulfonamide
CID 28940606
N-[1-(aminomethyl)cyclooctyl]piperidine-1-sulfonamide
CID 28940612
N-[1-(aminomethyl)cyclooctyl]azepane-1-sulfonamide
CID 28940614
1-(Aminomethyl)-1-(diethylsulfamoylamino)cyclooctane
CID 28940616
N-[1-(aminomethyl)cyclooctyl]methanesulfonamide
CID 28940644
1-(Aminomethyl)-1-(dimethylsulfamoylamino)cycloheptane
CID 28940646
1-(Aminomethyl)-1-(sulfamoylamino)cycloheptane
CID 28940674
1-Amino-1-[(dimethylsulfamoylamino)methyl]cycloheptane
CID 43598295
N-[1-(aminomethyl)cyclooctyl]-2-methylpropane-2-sulfonamide
CID 55232017

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-1-(sulfamoylamino)cyclooctane?
The IUPAC name of 1-(aminomethyl)-1-(sulfamoylamino)cyclooctane (CID 28940624) is 1-(aminomethyl)-1-(sulfamoylamino)cyclooctane.
What is the SMILES notation for 1-(aminomethyl)-1-(sulfamoylamino)cyclooctane?
The canonical SMILES for 1-(aminomethyl)-1-(sulfamoylamino)cyclooctane is NCC1(NS(N)(=O)=O)CCCCCCC1.
What is the InChIKey of 1-(aminomethyl)-1-(sulfamoylamino)cyclooctane?
The InChIKey is LJCXMZLMRYBSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2S/c10-8-9(12-15(11,13)14)6-4-2-1-3-5-7-9/h12H,1-8,10H2,(H2,11,13,14).
What are the key properties of 1-(aminomethyl)-1-(sulfamoylamino)cyclooctane?
1-(aminomethyl)-1-(sulfamoylamino)cyclooctane has a molecular weight of 235.35 g/mol, XLogP of 0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-1-(sulfamoylamino)cyclooctane is sourced from PubChem (CID 28940624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).