[ethyl-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]amino]cyclopropane

C13H30N4O2S — CID 106094103

IUPAC[ethyl-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]amino]cyclopropane
SMILESCCNCCCN(C)S(=O)(=O)NCCN(CC)C1CC1
InChIInChI=1S/C13H30N4O2S/c1-4-14-9-6-11-16(3)20(18,19)15-10-12-17(5-2)13-7-8-13/h13-15H,4-12H2,1-3H3
InChIKeyMJACBDLBIRAUHC-UHFFFAOYSA-N
MW306.48 g/mol
LogP0.24
Rot. Bonds12

About [ethyl-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]amino]cyclopropane

[ethyl-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]amino]cyclopropane (PubChem CID 106094103) has the molecular formula C13H30N4O2S and a molecular weight of 306.48 g/mol. Its IUPAC name is [ethyl-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]amino]cyclopropane.

Molecular Properties

Compound Name[ethyl-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]amino]cyclopropane
PubChem CID106094103
Molecular FormulaC13H30N4O2S
Molecular Weight306.48 g/mol
Exact Mass306.21
IUPAC Name[ethyl-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]amino]cyclopropane
SMILESCCNCCCN(C)S(=O)(=O)NCCN(CC)C1CC1
InChIInChI=1S/C13H30N4O2S/c1-4-14-9-6-11-16(3)20(18,19)15-10-12-17(5-2)13-7-8-13/h13-15H,4-12H2,1-3H3
InChIKeyMJACBDLBIRAUHC-UHFFFAOYSA-N
XLogP0.24
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [ethyl-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]amino]cyclopropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[2-[cyclopropyl(ethyl)amino]ethylsulfamoyl-methylamino]propanoate
CID 103731361
1-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-4-methylcyclohexane
CID 106062407
N'-cyclopropyl-N,N'-diethylpentane-1,5-diamine
CID 62421283
1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methylpentane
CID 106017119
[[3-(ethylamino)propyl-methylsulfamoyl]amino]cyclooctane
CID 106058865
1-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-3-methylcyclohexane
CID 106090902
1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]imidazole
CID 106018170
3-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,1-dioxothiolane
CID 106016855
4-[[3-(ethylamino)propyl-methylsulfamoyl]amino]thiane
CID 106084544
1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methoxypropane
CID 102701547
2-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,4-dimethylpiperazine
CID 106066888
1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-propylcyclopropane
CID 114112535

Frequently Asked Questions

What is the IUPAC name of [ethyl-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]amino]cyclopropane?
The IUPAC name of [ethyl-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]amino]cyclopropane (CID 106094103) is [ethyl-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]amino]cyclopropane.
What is the SMILES notation for [ethyl-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]amino]cyclopropane?
The canonical SMILES for [ethyl-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]amino]cyclopropane is CCNCCCN(C)S(=O)(=O)NCCN(CC)C1CC1.
What is the InChIKey of [ethyl-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]amino]cyclopropane?
The InChIKey is MJACBDLBIRAUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N4O2S/c1-4-14-9-6-11-16(3)20(18,19)15-10-12-17(5-2)13-7-8-13/h13-15H,4-12H2,1-3H3.
What are the key properties of [ethyl-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]amino]cyclopropane?
[ethyl-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]amino]cyclopropane has a molecular weight of 306.48 g/mol, XLogP of 0.24, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [ethyl-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]amino]cyclopropane is sourced from PubChem (CID 106094103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).