1-(aminomethyl)-1-(diethylsulfamoylamino)cyclooctane

C13H29N3O2S — CID 28940616

IUPAC1-(aminomethyl)-1-(diethylsulfamoylamino)cyclooctane
SMILESCCN(CC)S(=O)(=O)NC1(CN)CCCCCCC1
InChIInChI=1S/C13H29N3O2S/c1-3-16(4-2)19(17,18)15-13(12-14)10-8-6-5-7-9-11-13/h15H,3-12,14H2,1-2H3
InChIKeyPPOIKEQVGUVGAW-UHFFFAOYSA-N
MW291.46 g/mol
LogP1.60
Rot. Bonds6

About 1-(aminomethyl)-1-(diethylsulfamoylamino)cyclooctane

1-(aminomethyl)-1-(diethylsulfamoylamino)cyclooctane (PubChem CID 28940616) has the molecular formula C13H29N3O2S and a molecular weight of 291.46 g/mol. Its IUPAC name is 1-(aminomethyl)-1-(diethylsulfamoylamino)cyclooctane.

Molecular Properties

Compound Name1-(aminomethyl)-1-(diethylsulfamoylamino)cyclooctane
PubChem CID28940616
Molecular FormulaC13H29N3O2S
Molecular Weight291.46 g/mol
Exact Mass291.20
IUPAC Name1-(aminomethyl)-1-(diethylsulfamoylamino)cyclooctane
SMILESCCN(CC)S(=O)(=O)NC1(CN)CCCCCCC1
InChIInChI=1S/C13H29N3O2S/c1-3-16(4-2)19(17,18)15-13(12-14)10-8-6-5-7-9-11-13/h15H,3-12,14H2,1-2H3
InChIKeyPPOIKEQVGUVGAW-UHFFFAOYSA-N
XLogP1.60
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-Amino-1-[[[ethyl(methyl)sulfamoyl]amino]methyl]cyclohexane
CID 86780507
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-(diethylsulfamoylamino)cyclopentane
CID 28940522
1-(Aminomethyl)-1-(dimethylsulfamoylamino)cyclooctane
CID 28940596
N-[1-(aminomethyl)cyclooctyl]pyrrolidine-1-sulfonamide
CID 28940606
N-[1-(aminomethyl)cyclooctyl]-4-methylpiperidine-1-sulfonamide
CID 28940610
N-[1-(aminomethyl)cyclooctyl]piperidine-1-sulfonamide
CID 28940612
N-[1-(aminomethyl)cyclooctyl]azepane-1-sulfonamide
CID 28940614

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-1-(diethylsulfamoylamino)cyclooctane?
The IUPAC name of 1-(aminomethyl)-1-(diethylsulfamoylamino)cyclooctane (CID 28940616) is 1-(aminomethyl)-1-(diethylsulfamoylamino)cyclooctane.
What is the SMILES notation for 1-(aminomethyl)-1-(diethylsulfamoylamino)cyclooctane?
The canonical SMILES for 1-(aminomethyl)-1-(diethylsulfamoylamino)cyclooctane is CCN(CC)S(=O)(=O)NC1(CN)CCCCCCC1.
What is the InChIKey of 1-(aminomethyl)-1-(diethylsulfamoylamino)cyclooctane?
The InChIKey is PPOIKEQVGUVGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2S/c1-3-16(4-2)19(17,18)15-13(12-14)10-8-6-5-7-9-11-13/h15H,3-12,14H2,1-2H3.
What are the key properties of 1-(aminomethyl)-1-(diethylsulfamoylamino)cyclooctane?
1-(aminomethyl)-1-(diethylsulfamoylamino)cyclooctane has a molecular weight of 291.46 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-1-(diethylsulfamoylamino)cyclooctane is sourced from PubChem (CID 28940616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).