3-(ethylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]propane-1-sulfonamide

C11H27N3O2S — CID 114141000

IUPAC3-(ethylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]propane-1-sulfonamide
SMILESCCNCCCS(=O)(=O)NCCN(C)C(C)C
InChIInChI=1S/C11H27N3O2S/c1-5-12-7-6-10-17(15,16)13-8-9-14(4)11(2)3/h11-13H,5-10H2,1-4H3
InChIKeySJATWPQGZKQWIO-UHFFFAOYSA-N
MW265.42 g/mol
LogP0.25
Rot. Bonds10

About 3-(ethylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]propane-1-sulfonamide

3-(ethylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]propane-1-sulfonamide (PubChem CID 114141000) has the molecular formula C11H27N3O2S and a molecular weight of 265.42 g/mol. Its IUPAC name is 3-(ethylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-(ethylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]propane-1-sulfonamide
PubChem CID114141000
Molecular FormulaC11H27N3O2S
Molecular Weight265.42 g/mol
Exact Mass265.18
IUPAC Name3-(ethylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]propane-1-sulfonamide
SMILESCCNCCCS(=O)(=O)NCCN(C)C(C)C
InChIInChI=1S/C11H27N3O2S/c1-5-12-7-6-10-17(15,16)13-8-9-14(4)11(2)3/h11-13H,5-10H2,1-4H3
InChIKeySJATWPQGZKQWIO-UHFFFAOYSA-N
XLogP0.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 50.25
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

4-[2-[methyl(propan-2-yl)amino]ethylsulfamoyl]butanoic acid
CID 55097859
3-(ethylamino)-N-[2-(3-methylbutoxy)ethyl]propane-1-sulfonamide
CID 106018630
4-(cyclopropylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]butane-1-sulfonamide
CID 106055704
3-(ethylamino)-N-(2-methoxy-2-methylpropyl)propane-1-sulfonamide
CID 106079963
3-(ethylamino)-N-(5-methoxypentyl)propane-1-sulfonamide
CID 106092733
N-[4-[methyl(propan-2-yl)amino]butyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106052801
N-[3-(ethylamino)propyl]nonane-1-sulfonamide
CID 59769773
N-[2-(diethylamino)ethyl]-3-(propylamino)propane-1-sulfonamide
CID 114139014
N-(2-ethoxypropyl)-4-(ethylamino)butane-1-sulfonamide
CID 106078707
3-(ethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1-sulfonamide
CID 114141365
3-(ethylamino)-N-(1-methylsulfanylpropan-2-yl)propane-1-sulfonamide
CID 106079659
4-(ethylamino)-N-(2-methylsulfanylethyl)butane-1-sulfonamide
CID 106063520

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]propane-1-sulfonamide?
The IUPAC name of 3-(ethylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]propane-1-sulfonamide (CID 114141000) is 3-(ethylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]propane-1-sulfonamide.
What is the SMILES notation for 3-(ethylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]propane-1-sulfonamide?
The canonical SMILES for 3-(ethylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]propane-1-sulfonamide is CCNCCCS(=O)(=O)NCCN(C)C(C)C.
What is the InChIKey of 3-(ethylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]propane-1-sulfonamide?
The InChIKey is SJATWPQGZKQWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3O2S/c1-5-12-7-6-10-17(15,16)13-8-9-14(4)11(2)3/h11-13H,5-10H2,1-4H3.
What are the key properties of 3-(ethylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]propane-1-sulfonamide?
3-(ethylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]propane-1-sulfonamide has a molecular weight of 265.42 g/mol, XLogP of 0.25, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]propane-1-sulfonamide is sourced from PubChem (CID 114141000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).