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

C14H32N4O2S — CID 106062300

IUPAC1-[3-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methylpropyl]pyrrolidine
SMILESCCNCCCN(C)S(=O)(=O)NCC(C)CN1CCCC1
InChIInChI=1S/C14H32N4O2S/c1-4-15-8-7-9-17(3)21(19,20)16-12-14(2)13-18-10-5-6-11-18/h14-16H,4-13H2,1-3H3
InChIKeyQJSQLNNPQQJOTI-UHFFFAOYSA-N
MW320.50 g/mol
LogP0.48
Rot. Bonds11

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

1-[3-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methylpropyl]pyrrolidine (PubChem CID 106062300) has the molecular formula C14H32N4O2S and a molecular weight of 320.50 g/mol. Its IUPAC name is 1-[3-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methylpropyl]pyrrolidine.

Molecular Properties

Compound Name1-[3-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methylpropyl]pyrrolidine
PubChem CID106062300
Molecular FormulaC14H32N4O2S
Molecular Weight320.50 g/mol
Exact Mass320.22
IUPAC Name1-[3-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methylpropyl]pyrrolidine
SMILESCCNCCCN(C)S(=O)(=O)NCC(C)CN1CCCC1
InChIInChI=1S/C14H32N4O2S/c1-4-15-8-7-9-17(3)21(19,20)16-12-14(2)13-18-10-5-6-11-18/h14-16H,4-13H2,1-3H3
InChIKeyQJSQLNNPQQJOTI-UHFFFAOYSA-N
XLogP0.48
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 50.48
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-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]propyl]pyrrolidine
CID 106050972
1-[3-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methylpropyl]pyrrolidine
CID 55142284
1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methoxypropane
CID 102701547
1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-4-methylpentane
CID 106017119
3-(ethylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)propane-1-sulfonamide
CID 106050931
N-(2-methyl-3-pyrrolidin-1-ylpropyl)propane-1-sulfonamide
CID 61384303
N-butyl-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 60957473
[[3-(ethylamino)propyl-methylsulfamoyl]amino]cyclooctane
CID 106058865
2-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-1,4-dimethylpiperazine
CID 106066888
2-(ethylamino)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 62993703
1-bromo-N-(2-methyl-3-piperidin-1-ylpropyl)methanesulfonamide
CID 83086462
N-(2-methyl-3-piperidin-1-ylpropyl)octan-1-amine
CID 55191409

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methylpropyl]pyrrolidine?
The IUPAC name of 1-[3-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methylpropyl]pyrrolidine (CID 106062300) is 1-[3-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methylpropyl]pyrrolidine.
What is the SMILES notation for 1-[3-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methylpropyl]pyrrolidine?
The canonical SMILES for 1-[3-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methylpropyl]pyrrolidine is CCNCCCN(C)S(=O)(=O)NCC(C)CN1CCCC1.
What is the InChIKey of 1-[3-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methylpropyl]pyrrolidine?
The InChIKey is QJSQLNNPQQJOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N4O2S/c1-4-15-8-7-9-17(3)21(19,20)16-12-14(2)13-18-10-5-6-11-18/h14-16H,4-13H2,1-3H3.
What are the key properties of 1-[3-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methylpropyl]pyrrolidine?
1-[3-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methylpropyl]pyrrolidine has a molecular weight of 320.50 g/mol, XLogP of 0.48, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methylpropyl]pyrrolidine is sourced from PubChem (CID 106062300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).