N-[4-[1-(ethylamino)ethyl]phenyl]cyclopropanesulfonamide

C13H20N2O2S — CID 64553467

IUPACN-[4-[1-(ethylamino)ethyl]phenyl]cyclopropanesulfonamide
SMILESCCNC(C)c1ccc(NS(=O)(=O)C2CC2)cc1
InChIInChI=1S/C13H20N2O2S/c1-3-14-10(2)11-4-6-12(7-5-11)15-18(16,17)13-8-9-13/h4-7,10,13-15H,3,8-9H2,1-2H3
InChIKeyJHSHSJISTGMMJV-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.26
Rot. Bonds6

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

N-[4-[1-(ethylamino)ethyl]phenyl]cyclopropanesulfonamide (PubChem CID 64553467) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-[4-[1-(ethylamino)ethyl]phenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[4-[1-(ethylamino)ethyl]phenyl]cyclopropanesulfonamide
PubChem CID64553467
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-[4-[1-(ethylamino)ethyl]phenyl]cyclopropanesulfonamide
SMILESCCNC(C)c1ccc(NS(=O)(=O)C2CC2)cc1
InChIInChI=1S/C13H20N2O2S/c1-3-14-10(2)11-4-6-12(7-5-11)15-18(16,17)13-8-9-13/h4-7,10,13-15H,3,8-9H2,1-2H3
InChIKeyJHSHSJISTGMMJV-UHFFFAOYSA-N
XLogP2.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(ethylamino)ethyl]phenyl]cyclopropanesulfonamide?
The IUPAC name of N-[4-[1-(ethylamino)ethyl]phenyl]cyclopropanesulfonamide (CID 64553467) is N-[4-[1-(ethylamino)ethyl]phenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[4-[1-(ethylamino)ethyl]phenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[4-[1-(ethylamino)ethyl]phenyl]cyclopropanesulfonamide is CCNC(C)c1ccc(NS(=O)(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[1-(ethylamino)ethyl]phenyl]cyclopropanesulfonamide?
The InChIKey is JHSHSJISTGMMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-14-10(2)11-4-6-12(7-5-11)15-18(16,17)13-8-9-13/h4-7,10,13-15H,3,8-9H2,1-2H3.
What are the key properties of N-[4-[1-(ethylamino)ethyl]phenyl]cyclopropanesulfonamide?
N-[4-[1-(ethylamino)ethyl]phenyl]cyclopropanesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(ethylamino)ethyl]phenyl]cyclopropanesulfonamide is sourced from PubChem (CID 64553467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).