3-[1-(ethylamino)ethyl]-N-morpholin-4-ylbenzenesulfonamide

C14H23N3O3S — CID 83018391

IUPAC3-[1-(ethylamino)ethyl]-N-morpholin-4-ylbenzenesulfonamide
SMILESCCNC(C)c1cccc(S(=O)(=O)NN2CCOCC2)c1
InChIInChI=1S/C14H23N3O3S/c1-3-15-12(2)13-5-4-6-14(11-13)21(18,19)16-17-7-9-20-10-8-17/h4-6,11-12,15-16H,3,7-10H2,1-2H3
InChIKeySHNITDMDFQZEBC-UHFFFAOYSA-N
MW313.42 g/mol
LogP0.88
Rot. Bonds6

About 3-[1-(ethylamino)ethyl]-N-morpholin-4-ylbenzenesulfonamide

3-[1-(ethylamino)ethyl]-N-morpholin-4-ylbenzenesulfonamide (PubChem CID 83018391) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 3-[1-(ethylamino)ethyl]-N-morpholin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-[1-(ethylamino)ethyl]-N-morpholin-4-ylbenzenesulfonamide
PubChem CID83018391
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name3-[1-(ethylamino)ethyl]-N-morpholin-4-ylbenzenesulfonamide
SMILESCCNC(C)c1cccc(S(=O)(=O)NN2CCOCC2)c1
InChIInChI=1S/C14H23N3O3S/c1-3-15-12(2)13-5-4-6-14(11-13)21(18,19)16-17-7-9-20-10-8-17/h4-6,11-12,15-16H,3,7-10H2,1-2H3
InChIKeySHNITDMDFQZEBC-UHFFFAOYSA-N
XLogP0.88
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(aminomethyl)-N-morpholin-4-ylbenzenesulfonamide
CID 83014024
3-[1-(ethylamino)ethyl]-N-phenylbenzenesulfonamide
CID 43506659
N-ethyl-1-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]ethanamine
CID 43506710
3-[1-(ethylamino)ethyl]-N-(2-methylcyclopropyl)benzenesulfonamide
CID 62408236
N-(3,3-dimethylbutan-2-yl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
CID 104828856
N-(2,2-dimethylpropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
CID 61167664
N-ethyl-1-(3-morpholin-4-ylsulfonylphenyl)propan-1-amine
CID 60872840
N-(cyclopentylmethyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
CID 43507135
3-cyano-N-morpholin-4-ylbenzenesulfonamide
CID 83015557
3-[1-(ethylamino)ethyl]-N-pyrimidin-5-ylbenzenesulfonamide
CID 107588979
N-(3-ethoxypropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
CID 43506942
3-[1-(ethylamino)ethyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 81176656

Frequently Asked Questions

What is the IUPAC name of 3-[1-(ethylamino)ethyl]-N-morpholin-4-ylbenzenesulfonamide?
The IUPAC name of 3-[1-(ethylamino)ethyl]-N-morpholin-4-ylbenzenesulfonamide (CID 83018391) is 3-[1-(ethylamino)ethyl]-N-morpholin-4-ylbenzenesulfonamide.
What is the SMILES notation for 3-[1-(ethylamino)ethyl]-N-morpholin-4-ylbenzenesulfonamide?
The canonical SMILES for 3-[1-(ethylamino)ethyl]-N-morpholin-4-ylbenzenesulfonamide is CCNC(C)c1cccc(S(=O)(=O)NN2CCOCC2)c1.
What is the InChIKey of 3-[1-(ethylamino)ethyl]-N-morpholin-4-ylbenzenesulfonamide?
The InChIKey is SHNITDMDFQZEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-3-15-12(2)13-5-4-6-14(11-13)21(18,19)16-17-7-9-20-10-8-17/h4-6,11-12,15-16H,3,7-10H2,1-2H3.
What are the key properties of 3-[1-(ethylamino)ethyl]-N-morpholin-4-ylbenzenesulfonamide?
3-[1-(ethylamino)ethyl]-N-morpholin-4-ylbenzenesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(ethylamino)ethyl]-N-morpholin-4-ylbenzenesulfonamide is sourced from PubChem (CID 83018391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).