[[3-(ethylamino)propyl-methylsulfamoyl]amino]cyclooctane

C14H31N3O2S — CID 106058865

IUPAC[[3-(ethylamino)propyl-methylsulfamoyl]amino]cyclooctane
SMILESCCNCCCN(C)S(=O)(=O)NC1CCCCCCC1
InChIInChI=1S/C14H31N3O2S/c1-3-15-12-9-13-17(2)20(18,19)16-14-10-7-5-4-6-8-11-14/h14-16H,3-13H2,1-2H3
InChIKeyCASHZWFXHUKWIT-UHFFFAOYSA-N
MW305.49 g/mol
LogP1.87
Rot. Bonds8

About [[3-(ethylamino)propyl-methylsulfamoyl]amino]cyclooctane

[[3-(ethylamino)propyl-methylsulfamoyl]amino]cyclooctane (PubChem CID 106058865) has the molecular formula C14H31N3O2S and a molecular weight of 305.49 g/mol. Its IUPAC name is [[3-(ethylamino)propyl-methylsulfamoyl]amino]cyclooctane.

Molecular Properties

Compound Name[[3-(ethylamino)propyl-methylsulfamoyl]amino]cyclooctane
PubChem CID106058865
Molecular FormulaC14H31N3O2S
Molecular Weight305.49 g/mol
Exact Mass305.21
IUPAC Name[[3-(ethylamino)propyl-methylsulfamoyl]amino]cyclooctane
SMILESCCNCCCN(C)S(=O)(=O)NC1CCCCCCC1
InChIInChI=1S/C14H31N3O2S/c1-3-15-12-9-13-17(2)20(18,19)16-14-10-7-5-4-6-8-11-14/h14-16H,3-13H2,1-2H3
InChIKeyCASHZWFXHUKWIT-UHFFFAOYSA-N
XLogP1.87
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclooctane
CID 106058824
4-[[3-(ethylamino)propyl-methylsulfamoyl]amino]thiane
CID 106084544
7-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 106074034
1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-propylcyclopropane
CID 114112535
1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-3-methylsulfanylcyclohexane
CID 106091345
[[2-cyanoethyl(methyl)sulfamoyl]amino]cyclohexane
CID 35326787
1,1-dimethyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106068925
1,2-dimethyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106067373
1-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-3-methylcyclohexane
CID 106090902
[ethyl-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]amino]cyclopropane
CID 106094103
1-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-4-methylcyclohexane
CID 106062407
1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-3-methylsulfanylcyclopentane
CID 106092201

Frequently Asked Questions

What is the IUPAC name of [[3-(ethylamino)propyl-methylsulfamoyl]amino]cyclooctane?
The IUPAC name of [[3-(ethylamino)propyl-methylsulfamoyl]amino]cyclooctane (CID 106058865) is [[3-(ethylamino)propyl-methylsulfamoyl]amino]cyclooctane.
What is the SMILES notation for [[3-(ethylamino)propyl-methylsulfamoyl]amino]cyclooctane?
The canonical SMILES for [[3-(ethylamino)propyl-methylsulfamoyl]amino]cyclooctane is CCNCCCN(C)S(=O)(=O)NC1CCCCCCC1.
What is the InChIKey of [[3-(ethylamino)propyl-methylsulfamoyl]amino]cyclooctane?
The InChIKey is CASHZWFXHUKWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O2S/c1-3-15-12-9-13-17(2)20(18,19)16-14-10-7-5-4-6-8-11-14/h14-16H,3-13H2,1-2H3.
What are the key properties of [[3-(ethylamino)propyl-methylsulfamoyl]amino]cyclooctane?
[[3-(ethylamino)propyl-methylsulfamoyl]amino]cyclooctane has a molecular weight of 305.49 g/mol, XLogP of 1.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[3-(ethylamino)propyl-methylsulfamoyl]amino]cyclooctane is sourced from PubChem (CID 106058865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).