[2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethylamino]cycloheptane

C13H29N3O3S — CID 119987276

IUPAC[2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethylamino]cycloheptane
SMILESCOCCN(C)S(=O)(=O)NCCNC1CCCCCC1
InChIInChI=1S/C13H29N3O3S/c1-16(11-12-19-2)20(17,18)15-10-9-14-13-7-5-3-4-6-8-13/h13-15H,3-12H2,1-2H3
InChIKeyVPBGBSKETQAIGJ-UHFFFAOYSA-N
MW307.46 g/mol
LogP0.71
Rot. Bonds9

About [2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethylamino]cycloheptane

[2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethylamino]cycloheptane (PubChem CID 119987276) has the molecular formula C13H29N3O3S and a molecular weight of 307.46 g/mol. Its IUPAC name is [2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethylamino]cycloheptane.

Molecular Properties

Compound Name[2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethylamino]cycloheptane
PubChem CID119987276
Molecular FormulaC13H29N3O3S
Molecular Weight307.46 g/mol
Exact Mass307.19
IUPAC Name[2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethylamino]cycloheptane
SMILESCOCCN(C)S(=O)(=O)NCCNC1CCCCCC1
InChIInChI=1S/C13H29N3O3S/c1-16(11-12-19-2)20(17,18)15-10-9-14-13-7-5-3-4-6-8-13/h13-15H,3-12H2,1-2H3
InChIKeyVPBGBSKETQAIGJ-UHFFFAOYSA-N
XLogP0.71
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-[[cyclopropylmethyl(methyl)sulfamoyl]amino]ethylamino]cycloheptane;hydrochloride
CID 119987099
N-cyclohexyl-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine
CID 62575118
1-[2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethylamino]propane
CID 120716233
[2-(diethylsulfamoylamino)ethylamino]cycloheptane;hydrochloride
CID 119987290
N-(2-methoxyethyl)cycloheptanamine
CID 22484521
[2-amino-1-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethyl]cyclohexane
CID 119983804
N'-cycloheptyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 62573665
[3-[methyl-[2-(2-methylpropoxy)ethylsulfamoyl]amino]propylamino]cyclopropane
CID 106085300
3-[[[2-methoxyethyl(methyl)sulfamoyl]amino]methyl]piperidine;hydrochloride
CID 119968655
[2-(2-methoxyethylamino)ethylsulfamoyl-methylamino]methylcyclopropane
CID 120717956
N-(5-methoxypentyl)cyclooctanamine
CID 115714847
N-cyclooctyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62634350

Frequently Asked Questions

What is the IUPAC name of [2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethylamino]cycloheptane?
The IUPAC name of [2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethylamino]cycloheptane (CID 119987276) is [2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethylamino]cycloheptane.
What is the SMILES notation for [2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethylamino]cycloheptane?
The canonical SMILES for [2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethylamino]cycloheptane is COCCN(C)S(=O)(=O)NCCNC1CCCCCC1.
What is the InChIKey of [2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethylamino]cycloheptane?
The InChIKey is VPBGBSKETQAIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O3S/c1-16(11-12-19-2)20(17,18)15-10-9-14-13-7-5-3-4-6-8-13/h13-15H,3-12H2,1-2H3.
What are the key properties of [2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethylamino]cycloheptane?
[2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethylamino]cycloheptane has a molecular weight of 307.46 g/mol, XLogP of 0.71, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethylamino]cycloheptane is sourced from PubChem (CID 119987276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).