7-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,2,3,5,6,7,8,8a-octahydroindolizine

C14H30N4O2S — CID 106074034

IUPAC7-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCCNCCCN(C)S(=O)(=O)NC1CCN2CCCC2C1
InChIInChI=1S/C14H30N4O2S/c1-3-15-8-5-9-17(2)21(19,20)16-13-7-11-18-10-4-6-14(18)12-13/h13-16H,3-12H2,1-2H3
InChIKeyUHLZBXNYJWCFGI-UHFFFAOYSA-N
MW318.49 g/mol
LogP0.38
Rot. Bonds8

About 7-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,2,3,5,6,7,8,8a-octahydroindolizine

7-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 106074034) has the molecular formula C14H30N4O2S and a molecular weight of 318.49 g/mol. Its IUPAC name is 7-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Name7-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID106074034
Molecular FormulaC14H30N4O2S
Molecular Weight318.49 g/mol
Exact Mass318.21
IUPAC Name7-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCCNCCCN(C)S(=O)(=O)NC1CCN2CCCC2C1
InChIInChI=1S/C14H30N4O2S/c1-3-15-8-5-9-17(2)21(19,20)16-13-7-11-18-10-4-6-14(18)12-13/h13-16H,3-12H2,1-2H3
InChIKeyUHLZBXNYJWCFGI-UHFFFAOYSA-N
XLogP0.38
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,2,3,5,6,7,8,8a-octahydroindolizine with MolForge

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Related Compounds

[[3-(ethylamino)propyl-methylsulfamoyl]amino]cyclooctane
CID 106058865
4-[[3-(ethylamino)propyl-methylsulfamoyl]amino]thiane
CID 106084544
9-methyl-3-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]-9-azabicyclo[3.3.1]nonane
CID 106067150
1,2-dimethyl-4-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]piperidine
CID 106074063
[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclooctane
CID 106058824
1,2-dimethyl-4-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]cyclohexane
CID 106067373
1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-propylcyclopropane
CID 114112535
1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-3-methylsulfanylcyclohexane
CID 106091345
1-[[methyl-[3-(propylamino)propyl]sulfamoyl]amino]-3-methylsulfanylcyclopentane
CID 106092201
N-[3-(cyclopropylamino)propyl]-N-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-sulfonamide
CID 79936068
1-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-3-methylcyclohexane
CID 106090902
1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]propyl]pyrrolidine
CID 106050972

Frequently Asked Questions

What is the IUPAC name of 7-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of 7-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 106074034) is 7-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for 7-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for 7-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,2,3,5,6,7,8,8a-octahydroindolizine is CCNCCCN(C)S(=O)(=O)NC1CCN2CCCC2C1.
What is the InChIKey of 7-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is UHLZBXNYJWCFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O2S/c1-3-15-8-5-9-17(2)21(19,20)16-13-7-11-18-10-4-6-14(18)12-13/h13-16H,3-12H2,1-2H3.
What are the key properties of 7-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,2,3,5,6,7,8,8a-octahydroindolizine?
7-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,2,3,5,6,7,8,8a-octahydroindolizine has a molecular weight of 318.49 g/mol, XLogP of 0.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,2,3,5,6,7,8,8a-octahydroindolizine is sourced from PubChem (CID 106074034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).