1-(aminomethyl)-1-(diethylsulfamoylamino)cycloheptane

C12H27N3O2S — CID 28940666

IUPAC1-(aminomethyl)-1-(diethylsulfamoylamino)cycloheptane
SMILESCCN(CC)S(=O)(=O)NC1(CN)CCCCCC1
InChIInChI=1S/C12H27N3O2S/c1-3-15(4-2)18(16,17)14-12(11-13)9-7-5-6-8-10-12/h14H,3-11,13H2,1-2H3
InChIKeyZLPVVLDWQSXTKJ-UHFFFAOYSA-N
MW277.43 g/mol
LogP1.21
Rot. Bonds6

About 1-(aminomethyl)-1-(diethylsulfamoylamino)cycloheptane

1-(aminomethyl)-1-(diethylsulfamoylamino)cycloheptane (PubChem CID 28940666) has the molecular formula C12H27N3O2S and a molecular weight of 277.43 g/mol. Its IUPAC name is 1-(aminomethyl)-1-(diethylsulfamoylamino)cycloheptane.

Molecular Properties

Compound Name1-(aminomethyl)-1-(diethylsulfamoylamino)cycloheptane
PubChem CID28940666
Molecular FormulaC12H27N3O2S
Molecular Weight277.43 g/mol
Exact Mass277.18
IUPAC Name1-(aminomethyl)-1-(diethylsulfamoylamino)cycloheptane
SMILESCCN(CC)S(=O)(=O)NC1(CN)CCCCCC1
InChIInChI=1S/C12H27N3O2S/c1-3-15(4-2)18(16,17)14-12(11-13)9-7-5-6-8-10-12/h14H,3-11,13H2,1-2H3
InChIKeyZLPVVLDWQSXTKJ-UHFFFAOYSA-N
XLogP1.21
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.43
LogP ≤ 51.21
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)-1-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]cycloheptane
CID 114803840
N-[1-(aminomethyl)cycloheptyl]methanesulfonamide
CID 28940684
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]azepane-1-sulfonamide
CID 28940614

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-1-(diethylsulfamoylamino)cycloheptane?
The IUPAC name of 1-(aminomethyl)-1-(diethylsulfamoylamino)cycloheptane (CID 28940666) is 1-(aminomethyl)-1-(diethylsulfamoylamino)cycloheptane.
What is the SMILES notation for 1-(aminomethyl)-1-(diethylsulfamoylamino)cycloheptane?
The canonical SMILES for 1-(aminomethyl)-1-(diethylsulfamoylamino)cycloheptane is CCN(CC)S(=O)(=O)NC1(CN)CCCCCC1.
What is the InChIKey of 1-(aminomethyl)-1-(diethylsulfamoylamino)cycloheptane?
The InChIKey is ZLPVVLDWQSXTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2S/c1-3-15(4-2)18(16,17)14-12(11-13)9-7-5-6-8-10-12/h14H,3-11,13H2,1-2H3.
What are the key properties of 1-(aminomethyl)-1-(diethylsulfamoylamino)cycloheptane?
1-(aminomethyl)-1-(diethylsulfamoylamino)cycloheptane has a molecular weight of 277.43 g/mol, XLogP of 1.21, 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)cycloheptane is sourced from PubChem (CID 28940666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).