N,N-dimethyl-N'-sulfamoylhexanimidamide

C8H19N3O2S — CID 126717465

IUPACN,N-dimethyl-N'-sulfamoylhexanimidamide
SMILESCCCCC/C(=N/S(N)(=O)=O)N(C)C
InChIInChI=1S/C8H19N3O2S/c1-4-5-6-7-8(11(2)3)10-14(9,12)13/h4-7H2,1-3H3,(H2,9,12,13)/b10-8-
InChIKeyJEOAIXBFJCKTSD-NTMALXAHSA-N
MW221.33 g/mol
LogP0.73
Rot. Bonds5

About N,N-dimethyl-N'-sulfamoylhexanimidamide

N,N-dimethyl-N'-sulfamoylhexanimidamide (PubChem CID 126717465) has the molecular formula C8H19N3O2S and a molecular weight of 221.33 g/mol. Its IUPAC name is N,N-dimethyl-N'-sulfamoylhexanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-sulfamoylhexanimidamide
PubChem CID126717465
Molecular FormulaC8H19N3O2S
Molecular Weight221.33 g/mol
Exact Mass221.12
IUPAC NameN,N-dimethyl-N'-sulfamoylhexanimidamide
SMILESCCCCC/C(=N/S(N)(=O)=O)N(C)C
InChIInChI=1S/C8H19N3O2S/c1-4-5-6-7-8(11(2)3)10-14(9,12)13/h4-7H2,1-3H3,(H2,9,12,13)/b10-8-
InChIKeyJEOAIXBFJCKTSD-NTMALXAHSA-N
XLogP0.73
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

heptadecan-9-yl 8-[[5-(dimethylamino)-5-sulfamoyliminopentyl]-octylamino]octanoate
CID 174137835
[1-(dimethylamino)-6,6-dimethylnonylidene]sulfamic acid
CID 174098827
N,N'-diamino-N-methylheptanimidamide
CID 155689809
hexane;sulfamide
CID 87750585
dimethylsulfamic acid;heptadecane
CID 173271446
hept-1-ene-2-sulfonamide
CID 87167916
N,N-dimethylmethanesulfonamide;ethane;hexane
CID 91522077
N,N-dimethyldecanamide;N,N-dimethyloctanamide
CID 155099591
N'-(4-chlorophenyl)sulfonyl-N,N-diethylheptanimidamide
CID 177430117
[methyl(octadecanoyl)amino]methanesulfonic acid
CID 20615725
7-hydrazinylidenedodecan-6-ylidenehydrazine
CID 71443404
N,N-dimethyloctadecanamide;hydrobromide
CID 174406080

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-sulfamoylhexanimidamide?
The IUPAC name of N,N-dimethyl-N'-sulfamoylhexanimidamide (CID 126717465) is N,N-dimethyl-N'-sulfamoylhexanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-sulfamoylhexanimidamide?
The canonical SMILES for N,N-dimethyl-N'-sulfamoylhexanimidamide is CCCCC/C(=N/S(N)(=O)=O)N(C)C.
What is the InChIKey of N,N-dimethyl-N'-sulfamoylhexanimidamide?
The InChIKey is JEOAIXBFJCKTSD-NTMALXAHSA-N. The full InChI is InChI=1S/C8H19N3O2S/c1-4-5-6-7-8(11(2)3)10-14(9,12)13/h4-7H2,1-3H3,(H2,9,12,13)/b10-8-.
What are the key properties of N,N-dimethyl-N'-sulfamoylhexanimidamide?
N,N-dimethyl-N'-sulfamoylhexanimidamide has a molecular weight of 221.33 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-sulfamoylhexanimidamide is sourced from PubChem (CID 126717465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).