N-[4-[1-(ethylamino)ethyl]phenyl]oxane-4-sulfonamide

C15H24N2O3S — CID 62047895

IUPACN-[4-[1-(ethylamino)ethyl]phenyl]oxane-4-sulfonamide
SMILESCCNC(C)c1ccc(NS(=O)(=O)C2CCOCC2)cc1
InChIInChI=1S/C15H24N2O3S/c1-3-16-12(2)13-4-6-14(7-5-13)17-21(18,19)15-8-10-20-11-9-15/h4-7,12,15-17H,3,8-11H2,1-2H3
InChIKeyNLBOPIOVAVTJCH-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.28
Rot. Bonds6

About N-[4-[1-(ethylamino)ethyl]phenyl]oxane-4-sulfonamide

N-[4-[1-(ethylamino)ethyl]phenyl]oxane-4-sulfonamide (PubChem CID 62047895) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-[4-[1-(ethylamino)ethyl]phenyl]oxane-4-sulfonamide.

Molecular Properties

Compound NameN-[4-[1-(ethylamino)ethyl]phenyl]oxane-4-sulfonamide
PubChem CID62047895
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-[4-[1-(ethylamino)ethyl]phenyl]oxane-4-sulfonamide
SMILESCCNC(C)c1ccc(NS(=O)(=O)C2CCOCC2)cc1
InChIInChI=1S/C15H24N2O3S/c1-3-16-12(2)13-4-6-14(7-5-13)17-21(18,19)15-8-10-20-11-9-15/h4-7,12,15-17H,3,8-11H2,1-2H3
InChIKeyNLBOPIOVAVTJCH-UHFFFAOYSA-N
XLogP2.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[1-(ethylamino)ethyl]phenyl]oxane-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[1-(ethylamino)ethyl]phenyl]cyclopropanesulfonamide
CID 64553467
N-[3-[1-(ethylamino)ethyl]phenyl]cyclohexanesulfonamide
CID 61064761
N-[4-(1-aminoethyl)phenyl]cyclopropanesulfonamide
CID 64553254
N-ethyl-1-[4-(oxan-4-ylsulfanyl)phenyl]ethanamine
CID 55140918
3-[4-(cyclopropylsulfonylamino)phenyl]butanoic acid
CID 113420004
N-[4-(1-aminoethyl)phenyl]cyclopentanesulfonamide
CID 105361013
3-[4-[1-(ethylamino)ethyl]phenyl]-1-methyl-1-(oxolan-3-yl)urea
CID 82730912
N-ethyl-1-(4-methylphenyl)-2-(oxan-4-ylsulfonyl)ethanamine
CID 64675879
N-[4-(cyanomethoxy)phenyl]oxane-4-sulfonamide
CID 62047896
N-(6-amino-3-pyridinyl)oxane-4-sulfonamide
CID 62047735
N-[4-[1-(ethylamino)ethyl]phenyl]thiophene-2-sulfonamide
CID 43508090
N-(3-methyl-4-sulfamoylphenyl)oxane-4-sulfonamide
CID 62049563

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(ethylamino)ethyl]phenyl]oxane-4-sulfonamide?
The IUPAC name of N-[4-[1-(ethylamino)ethyl]phenyl]oxane-4-sulfonamide (CID 62047895) is N-[4-[1-(ethylamino)ethyl]phenyl]oxane-4-sulfonamide.
What is the SMILES notation for N-[4-[1-(ethylamino)ethyl]phenyl]oxane-4-sulfonamide?
The canonical SMILES for N-[4-[1-(ethylamino)ethyl]phenyl]oxane-4-sulfonamide is CCNC(C)c1ccc(NS(=O)(=O)C2CCOCC2)cc1.
What is the InChIKey of N-[4-[1-(ethylamino)ethyl]phenyl]oxane-4-sulfonamide?
The InChIKey is NLBOPIOVAVTJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-3-16-12(2)13-4-6-14(7-5-13)17-21(18,19)15-8-10-20-11-9-15/h4-7,12,15-17H,3,8-11H2,1-2H3.
What are the key properties of N-[4-[1-(ethylamino)ethyl]phenyl]oxane-4-sulfonamide?
N-[4-[1-(ethylamino)ethyl]phenyl]oxane-4-sulfonamide has a molecular weight of 312.44 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(ethylamino)ethyl]phenyl]oxane-4-sulfonamide is sourced from PubChem (CID 62047895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).