1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]propyl]pyrrolidine

C13H30N4O2S — CID 106050972

IUPAC1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]propyl]pyrrolidine
SMILESCCNCCCN(C)S(=O)(=O)NC(C)CN1CCCC1
InChIInChI=1S/C13H30N4O2S/c1-4-14-8-7-9-16(3)20(18,19)15-13(2)12-17-10-5-6-11-17/h13-15H,4-12H2,1-3H3
InChIKeyNEBCKJFSEUQEIO-UHFFFAOYSA-N
MW306.48 g/mol
LogP0.24
Rot. Bonds10

About 1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]propyl]pyrrolidine

1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]propyl]pyrrolidine (PubChem CID 106050972) has the molecular formula C13H30N4O2S and a molecular weight of 306.48 g/mol. Its IUPAC name is 1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]propyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]propyl]pyrrolidine
PubChem CID106050972
Molecular FormulaC13H30N4O2S
Molecular Weight306.48 g/mol
Exact Mass306.21
IUPAC Name1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]propyl]pyrrolidine
SMILESCCNCCCN(C)S(=O)(=O)NC(C)CN1CCCC1
InChIInChI=1S/C13H30N4O2S/c1-4-14-8-7-9-16(3)20(18,19)15-13(2)12-17-10-5-6-11-17/h13-15H,4-12H2,1-3H3
InChIKeyNEBCKJFSEUQEIO-UHFFFAOYSA-N
XLogP0.24
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
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'}

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Related Compounds

1-[3-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methylpropyl]pyrrolidine
CID 106062300
3-(ethylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)propane-1-sulfonamide
CID 106050931
4-[2-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]propyl]morpholine
CID 106003066
1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]propyl]imidazole
CID 106010320
N-(1-piperidin-1-ylpropan-2-yl)ethanesulfonamide
CID 64584940
4-methyl-2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]hexane
CID 106066730
1-[3-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methylpropyl]pyrrolidine
CID 55142284
1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methylpentane
CID 106017119
4-[1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]pyridine
CID 106022387
[[3-(ethylamino)propyl-methylsulfamoyl]amino]cyclooctane
CID 106058865
N',N'-dimethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)propane-1,3-diamine
CID 114525110
1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methoxypropane
CID 102701547

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]propyl]pyrrolidine?
The IUPAC name of 1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]propyl]pyrrolidine (CID 106050972) is 1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]propyl]pyrrolidine.
What is the SMILES notation for 1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]propyl]pyrrolidine?
The canonical SMILES for 1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]propyl]pyrrolidine is CCNCCCN(C)S(=O)(=O)NC(C)CN1CCCC1.
What is the InChIKey of 1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]propyl]pyrrolidine?
The InChIKey is NEBCKJFSEUQEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N4O2S/c1-4-14-8-7-9-16(3)20(18,19)15-13(2)12-17-10-5-6-11-17/h13-15H,4-12H2,1-3H3.
What are the key properties of 1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]propyl]pyrrolidine?
1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]propyl]pyrrolidine has a molecular weight of 306.48 g/mol, XLogP of 0.24, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]propyl]pyrrolidine is sourced from PubChem (CID 106050972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).