1-(aminomethyl)-1-(dimethylsulfamoylamino)cyclooctane

C11H25N3O2S — CID 28940596

IUPAC1-(aminomethyl)-1-(dimethylsulfamoylamino)cyclooctane
SMILESCN(C)S(=O)(=O)NC1(CN)CCCCCCC1
InChIInChI=1S/C11H25N3O2S/c1-14(2)17(15,16)13-11(10-12)8-6-4-3-5-7-9-11/h13H,3-10,12H2,1-2H3
InChIKeyATYKMDVMRCOXEB-UHFFFAOYSA-N
MW263.41 g/mol
LogP0.82
Rot. Bonds4

About 1-(aminomethyl)-1-(dimethylsulfamoylamino)cyclooctane

1-(aminomethyl)-1-(dimethylsulfamoylamino)cyclooctane (PubChem CID 28940596) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is 1-(aminomethyl)-1-(dimethylsulfamoylamino)cyclooctane.

Molecular Properties

Compound Name1-(aminomethyl)-1-(dimethylsulfamoylamino)cyclooctane
PubChem CID28940596
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC Name1-(aminomethyl)-1-(dimethylsulfamoylamino)cyclooctane
SMILESCN(C)S(=O)(=O)NC1(CN)CCCCCCC1
InChIInChI=1S/C11H25N3O2S/c1-14(2)17(15,16)13-11(10-12)8-6-4-3-5-7-9-11/h13H,3-10,12H2,1-2H3
InChIKeyATYKMDVMRCOXEB-UHFFFAOYSA-N
XLogP0.82
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Dimethylsulfamoylamino)-1-methylcycloheptane
CID 53557382
1-Amino-1-[[[ethyl(methyl)sulfamoyl]amino]methyl]cyclohexane
CID 86780507
1-(aminomethyl)-N-(2,2,2-trifluoroethylsulfamoyl)cyclooctan-1-amine
CID 114803352
7-(Dimethylsulfamoylamino)-7-methyltridecane
CID 130342801
5-(Dimethylsulfamoylamino)-5-methyldodecane
CID 130356012
5-Methyl-5-(sulfinatoamino)-azacyclododecane
CID 139301763
6-Methyl-6-(sulfinatoamino)-azacyclododecane
CID 139301769
1-(Aminomethyl)-1-(dimethylsulfamoylamino)cyclohexane
CID 28940464
1-(Aminomethyl)-1-(diethylsulfamoylamino)cyclohexane
CID 28940484
1-(Aminomethyl)-1-(dimethylsulfamoylamino)cyclopentane
CID 28940502
N-[1-(aminomethyl)cyclooctyl]pyrrolidine-1-sulfonamide
CID 28940606
N-[1-(aminomethyl)cyclooctyl]-4-methylpiperidine-1-sulfonamide
CID 28940610

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-1-(dimethylsulfamoylamino)cyclooctane?
The IUPAC name of 1-(aminomethyl)-1-(dimethylsulfamoylamino)cyclooctane (CID 28940596) is 1-(aminomethyl)-1-(dimethylsulfamoylamino)cyclooctane.
What is the SMILES notation for 1-(aminomethyl)-1-(dimethylsulfamoylamino)cyclooctane?
The canonical SMILES for 1-(aminomethyl)-1-(dimethylsulfamoylamino)cyclooctane is CN(C)S(=O)(=O)NC1(CN)CCCCCCC1.
What is the InChIKey of 1-(aminomethyl)-1-(dimethylsulfamoylamino)cyclooctane?
The InChIKey is ATYKMDVMRCOXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-14(2)17(15,16)13-11(10-12)8-6-4-3-5-7-9-11/h13H,3-10,12H2,1-2H3.
What are the key properties of 1-(aminomethyl)-1-(dimethylsulfamoylamino)cyclooctane?
1-(aminomethyl)-1-(dimethylsulfamoylamino)cyclooctane has a molecular weight of 263.41 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-1-(dimethylsulfamoylamino)cyclooctane is sourced from PubChem (CID 28940596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).