3-[1-(ethylamino)ethyl]-N-(2-methylcyclopropyl)benzenesulfonamide

C14H22N2O2S — CID 62408236

IUPAC3-[1-(ethylamino)ethyl]-N-(2-methylcyclopropyl)benzenesulfonamide
SMILESCCNC(C)c1cccc(S(=O)(=O)NC2CC2C)c1
InChIInChI=1S/C14H22N2O2S/c1-4-15-11(3)12-6-5-7-13(9-12)19(17,18)16-14-8-10(14)2/h5-7,9-11,14-16H,4,8H2,1-3H3
InChIKeyFPHXZCGCUNFKIZ-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.04
Rot. Bonds6

About 3-[1-(ethylamino)ethyl]-N-(2-methylcyclopropyl)benzenesulfonamide

3-[1-(ethylamino)ethyl]-N-(2-methylcyclopropyl)benzenesulfonamide (PubChem CID 62408236) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 3-[1-(ethylamino)ethyl]-N-(2-methylcyclopropyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[1-(ethylamino)ethyl]-N-(2-methylcyclopropyl)benzenesulfonamide
PubChem CID62408236
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name3-[1-(ethylamino)ethyl]-N-(2-methylcyclopropyl)benzenesulfonamide
SMILESCCNC(C)c1cccc(S(=O)(=O)NC2CC2C)c1
InChIInChI=1S/C14H22N2O2S/c1-4-15-11(3)12-6-5-7-13(9-12)19(17,18)16-14-8-10(14)2/h5-7,9-11,14-16H,4,8H2,1-3H3
InChIKeyFPHXZCGCUNFKIZ-UHFFFAOYSA-N
XLogP2.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopentylmethyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
CID 43507135
3-[1-(ethylamino)ethyl]-N-phenylbenzenesulfonamide
CID 43506659
N-(3,3-dimethylbutan-2-yl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
CID 104828856
N-(2,2-dimethylpropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
CID 61167664
3-[1-(ethylamino)ethyl]-N-morpholin-4-ylbenzenesulfonamide
CID 83018391
N-ethyl-1-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]ethanamine
CID 43506710
3-[1-(ethylamino)ethyl]-N-pyrimidin-5-ylbenzenesulfonamide
CID 107588979
N-(3-ethoxypropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
CID 43506942
N-(2,3-dimethylcyclopentyl)-3-(1-hydroxyethyl)benzenesulfonamide
CID 64922458
N-methyl-3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506750
3-(1-aminoethyl)-N-(3-ethyl-2-methylcyclopentyl)benzenesulfonamide
CID 64916220
3-[1-(methylamino)propyl]-N-(2-methylcyclopentyl)benzenesulfonamide
CID 63279537

Frequently Asked Questions

What is the IUPAC name of 3-[1-(ethylamino)ethyl]-N-(2-methylcyclopropyl)benzenesulfonamide?
The IUPAC name of 3-[1-(ethylamino)ethyl]-N-(2-methylcyclopropyl)benzenesulfonamide (CID 62408236) is 3-[1-(ethylamino)ethyl]-N-(2-methylcyclopropyl)benzenesulfonamide.
What is the SMILES notation for 3-[1-(ethylamino)ethyl]-N-(2-methylcyclopropyl)benzenesulfonamide?
The canonical SMILES for 3-[1-(ethylamino)ethyl]-N-(2-methylcyclopropyl)benzenesulfonamide is CCNC(C)c1cccc(S(=O)(=O)NC2CC2C)c1.
What is the InChIKey of 3-[1-(ethylamino)ethyl]-N-(2-methylcyclopropyl)benzenesulfonamide?
The InChIKey is FPHXZCGCUNFKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-4-15-11(3)12-6-5-7-13(9-12)19(17,18)16-14-8-10(14)2/h5-7,9-11,14-16H,4,8H2,1-3H3.
What are the key properties of 3-[1-(ethylamino)ethyl]-N-(2-methylcyclopropyl)benzenesulfonamide?
3-[1-(ethylamino)ethyl]-N-(2-methylcyclopropyl)benzenesulfonamide has a molecular weight of 282.41 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(ethylamino)ethyl]-N-(2-methylcyclopropyl)benzenesulfonamide is sourced from PubChem (CID 62408236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).