4-[2-(ethylamino)ethyl]-N-(2-methyloxolan-3-yl)benzenesulfonamide

C15H24N2O3S — CID 106076304

IUPAC4-[2-(ethylamino)ethyl]-N-(2-methyloxolan-3-yl)benzenesulfonamide
SMILESCCNCCc1ccc(S(=O)(=O)NC2CCOC2C)cc1
InChIInChI=1S/C15H24N2O3S/c1-3-16-10-8-13-4-6-14(7-5-13)21(18,19)17-15-9-11-20-12(15)2/h4-7,12,15-17H,3,8-11H2,1-2H3
InChIKeySBIYPHKOKWAYDI-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.29
Rot. Bonds7

About 4-[2-(ethylamino)ethyl]-N-(2-methyloxolan-3-yl)benzenesulfonamide

4-[2-(ethylamino)ethyl]-N-(2-methyloxolan-3-yl)benzenesulfonamide (PubChem CID 106076304) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 4-[2-(ethylamino)ethyl]-N-(2-methyloxolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(ethylamino)ethyl]-N-(2-methyloxolan-3-yl)benzenesulfonamide
PubChem CID106076304
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name4-[2-(ethylamino)ethyl]-N-(2-methyloxolan-3-yl)benzenesulfonamide
SMILESCCNCCc1ccc(S(=O)(=O)NC2CCOC2C)cc1
InChIInChI=1S/C15H24N2O3S/c1-3-16-10-8-13-4-6-14(7-5-13)21(18,19)17-15-9-11-20-12(15)2/h4-7,12,15-17H,3,8-11H2,1-2H3
InChIKeySBIYPHKOKWAYDI-UHFFFAOYSA-N
XLogP1.29
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.29
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

2-[4-[(2-methyloxolan-3-yl)sulfamoyl]phenyl]ethanethioamide
CID 82728260
4-[2-(methylamino)ethoxy]-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 106076129
4-(1-aminoethyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82728733
4-[2-(ethylamino)ethyl]-N-pentan-3-ylbenzenesulfonamide
CID 106032195
N-(2-methyloxolan-3-yl)-5-[2-(propylamino)ethyl]thiophene-2-sulfonamide
CID 106076260
N-(2-methyloxolan-3-yl)-1-[2-(propylamino)ethyl]pyrazole-4-sulfonamide
CID 106076162
2-(ethylaminomethyl)-N-(2-methyloxolan-3-yl)thiophene-3-sulfonamide
CID 106076254
N-(2-methyloxolan-3-yl)-2-(propylamino)pyrimidine-5-sulfonamide
CID 82735971
N-(2-aminocyclopentyl)-4-propylbenzenesulfonamide
CID 63251903
2-chloro-N-(2-methyloxolan-3-yl)quinoline-6-sulfonamide
CID 82726200
2-methyl-N-[(4-methylsulfonylphenyl)methyl]oxolan-3-amine
CID 115336489
3-(aminomethyl)-4-methoxy-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 106076121

Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethylamino)ethyl]-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The IUPAC name of 4-[2-(ethylamino)ethyl]-N-(2-methyloxolan-3-yl)benzenesulfonamide (CID 106076304) is 4-[2-(ethylamino)ethyl]-N-(2-methyloxolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-[2-(ethylamino)ethyl]-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The canonical SMILES for 4-[2-(ethylamino)ethyl]-N-(2-methyloxolan-3-yl)benzenesulfonamide is CCNCCc1ccc(S(=O)(=O)NC2CCOC2C)cc1.
What is the InChIKey of 4-[2-(ethylamino)ethyl]-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The InChIKey is SBIYPHKOKWAYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-3-16-10-8-13-4-6-14(7-5-13)21(18,19)17-15-9-11-20-12(15)2/h4-7,12,15-17H,3,8-11H2,1-2H3.
What are the key properties of 4-[2-(ethylamino)ethyl]-N-(2-methyloxolan-3-yl)benzenesulfonamide?
4-[2-(ethylamino)ethyl]-N-(2-methyloxolan-3-yl)benzenesulfonamide has a molecular weight of 312.44 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(ethylamino)ethyl]-N-(2-methyloxolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 106076304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).