3-(ethylamino)-N-[1-(oxan-4-yl)ethyl]propane-1-sulfonamide

C12H26N2O3S — CID 114142621

IUPAC3-(ethylamino)-N-[1-(oxan-4-yl)ethyl]propane-1-sulfonamide
SMILESCCNCCCS(=O)(=O)NC(C)C1CCOCC1
InChIInChI=1S/C12H26N2O3S/c1-3-13-7-4-10-18(15,16)14-11(2)12-5-8-17-9-6-12/h11-14H,3-10H2,1-2H3
InChIKeyIRZXBJRMXUILLT-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.72
Rot. Bonds8

About 3-(ethylamino)-N-[1-(oxan-4-yl)ethyl]propane-1-sulfonamide

3-(ethylamino)-N-[1-(oxan-4-yl)ethyl]propane-1-sulfonamide (PubChem CID 114142621) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is 3-(ethylamino)-N-[1-(oxan-4-yl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-(ethylamino)-N-[1-(oxan-4-yl)ethyl]propane-1-sulfonamide
PubChem CID114142621
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC Name3-(ethylamino)-N-[1-(oxan-4-yl)ethyl]propane-1-sulfonamide
SMILESCCNCCCS(=O)(=O)NC(C)C1CCOCC1
InChIInChI=1S/C12H26N2O3S/c1-3-13-7-4-10-18(15,16)14-11(2)12-5-8-17-9-6-12/h11-14H,3-10H2,1-2H3
InChIKeyIRZXBJRMXUILLT-UHFFFAOYSA-N
XLogP0.72
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.72
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

N-[(1R)-1-cyclopropylethyl]butane-1-sulfonamide
CID 95761810
3-ethylsulfonyl-N-[1-(oxan-4-yl)ethyl]propan-1-amine
CID 103914759
3-(ethylamino)-N-(1-methylsulfanylpropan-2-yl)propane-1-sulfonamide
CID 106079659
N-(1-cyclopentylethyl)-4-(methylamino)butane-1-sulfonamide
CID 106066011
N-(1-cyclopentylethyl)-2-(propylamino)ethanesulfonamide
CID 106066112
2-(ethylaminomethyl)-N-[1-(oxan-4-yl)ethyl]thiophene-3-sulfonamide
CID 106092094
3-(ethylamino)-N-(oxan-3-ylmethyl)propane-1-sulfonamide
CID 106016480
3-(ethylamino)-N-(1-pyrrolidin-1-ylpropan-2-yl)propane-1-sulfonamide
CID 106050931
N-(2-tert-butylsulfonylethyl)-1-(oxan-4-yl)ethanamine
CID 103902201
4-(1-cyclohexylethylsulfamoyl)butanoic acid
CID 62406651
N-(2,2-diethyloxan-4-yl)-4-(ethylamino)butane-1-sulfonamide
CID 106075642
N-(1-pyrrolidin-3-ylethyl)butane-1-sulfonamide
CID 103976958

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-[1-(oxan-4-yl)ethyl]propane-1-sulfonamide?
The IUPAC name of 3-(ethylamino)-N-[1-(oxan-4-yl)ethyl]propane-1-sulfonamide (CID 114142621) is 3-(ethylamino)-N-[1-(oxan-4-yl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for 3-(ethylamino)-N-[1-(oxan-4-yl)ethyl]propane-1-sulfonamide?
The canonical SMILES for 3-(ethylamino)-N-[1-(oxan-4-yl)ethyl]propane-1-sulfonamide is CCNCCCS(=O)(=O)NC(C)C1CCOCC1.
What is the InChIKey of 3-(ethylamino)-N-[1-(oxan-4-yl)ethyl]propane-1-sulfonamide?
The InChIKey is IRZXBJRMXUILLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-3-13-7-4-10-18(15,16)14-11(2)12-5-8-17-9-6-12/h11-14H,3-10H2,1-2H3.
What are the key properties of 3-(ethylamino)-N-[1-(oxan-4-yl)ethyl]propane-1-sulfonamide?
3-(ethylamino)-N-[1-(oxan-4-yl)ethyl]propane-1-sulfonamide has a molecular weight of 278.42 g/mol, XLogP of 0.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-[1-(oxan-4-yl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 114142621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).