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

C10H25N3O3S — CID 102701547

IUPAC1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methoxypropane
SMILESCCNCCCN(C)S(=O)(=O)NCC(C)OC
InChIInChI=1S/C10H25N3O3S/c1-5-11-7-6-8-13(3)17(14,15)12-9-10(2)16-4/h10-12H,5-9H2,1-4H3
InChIKeyWKLDQECYZCFTQT-UHFFFAOYSA-N
MW267.39 g/mol
LogP-0.21
Rot. Bonds10

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

1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methoxypropane (PubChem CID 102701547) has the molecular formula C10H25N3O3S and a molecular weight of 267.39 g/mol. Its IUPAC name is 1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methoxypropane.

Molecular Properties

Compound Name1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methoxypropane
PubChem CID102701547
Molecular FormulaC10H25N3O3S
Molecular Weight267.39 g/mol
Exact Mass267.16
IUPAC Name1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methoxypropane
SMILESCCNCCCN(C)S(=O)(=O)NCC(C)OC
InChIInChI=1S/C10H25N3O3S/c1-5-11-7-6-8-13(3)17(14,15)12-9-10(2)16-4/h10-12H,5-9H2,1-4H3
InChIKeyWKLDQECYZCFTQT-UHFFFAOYSA-N
XLogP-0.21
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 5-0.21
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-(ethylamino)propyl-methylsulfamoyl]amino]-4-methylpentane
CID 106017119
3-[2-methoxypropylsulfamoyl(methyl)amino]propanoic acid
CID 102695739
1-[3-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methylpropyl]pyrrolidine
CID 106062300
1-[[[3-(ethylamino)propyl-methylsulfamoyl]amino]methyl]-4-methylcyclohexane
CID 106062407
[ethyl-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]amino]cyclopropane
CID 106094103
[[3-(ethylamino)propyl-methylsulfamoyl]amino]cyclooctane
CID 106058865
1-[[methyl-[3-(methylamino)propyl]sulfamoyl]amino]propan-2-ylcyclopropane
CID 113476469
4-[1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]ethyl]pyridine
CID 106022387
1-[2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]propyl]pyrrolidine
CID 106050972
4-[[3-(ethylamino)propyl-methylsulfamoyl]amino]thiane
CID 106084544
methyl 3-[2-ethoxypropylsulfamoyl(methyl)amino]propanoate
CID 115677986
N-ethyl-N'-methyl-N'-[methyl(1-methylsulfanylpropan-2-yl)sulfamoyl]propane-1,3-diamine
CID 112667469

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methoxypropane?
The IUPAC name of 1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methoxypropane (CID 102701547) is 1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methoxypropane.
What is the SMILES notation for 1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methoxypropane?
The canonical SMILES for 1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methoxypropane is CCNCCCN(C)S(=O)(=O)NCC(C)OC.
What is the InChIKey of 1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methoxypropane?
The InChIKey is WKLDQECYZCFTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25N3O3S/c1-5-11-7-6-8-13(3)17(14,15)12-9-10(2)16-4/h10-12H,5-9H2,1-4H3.
What are the key properties of 1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methoxypropane?
1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methoxypropane has a molecular weight of 267.39 g/mol, XLogP of -0.21, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-2-methoxypropane is sourced from PubChem (CID 102701547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).