N-[3-[1-(propylamino)ethyl]phenyl]ethanesulfonamide

C13H22N2O2S — CID 43508153

IUPACN-[3-[1-(propylamino)ethyl]phenyl]ethanesulfonamide
SMILESCCCNC(C)c1cccc(NS(=O)(=O)CC)c1
InChIInChI=1S/C13H22N2O2S/c1-4-9-14-11(3)12-7-6-8-13(10-12)15-18(16,17)5-2/h6-8,10-11,14-15H,4-5,9H2,1-3H3
InChIKeyRBXBFFYLFTZMKY-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.51
Rot. Bonds7

About N-[3-[1-(propylamino)ethyl]phenyl]ethanesulfonamide

N-[3-[1-(propylamino)ethyl]phenyl]ethanesulfonamide (PubChem CID 43508153) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-[3-[1-(propylamino)ethyl]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-[1-(propylamino)ethyl]phenyl]ethanesulfonamide
PubChem CID43508153
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-[3-[1-(propylamino)ethyl]phenyl]ethanesulfonamide
SMILESCCCNC(C)c1cccc(NS(=O)(=O)CC)c1
InChIInChI=1S/C13H22N2O2S/c1-4-9-14-11(3)12-7-6-8-13(10-12)15-18(16,17)5-2/h6-8,10-11,14-15H,4-5,9H2,1-3H3
InChIKeyRBXBFFYLFTZMKY-UHFFFAOYSA-N
XLogP2.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropylsulfamoyl)-3-[1-(propylamino)ethyl]aniline
CID 114814956
N-[3-[1-(ethylamino)ethyl]phenyl]butane-1-sulfonamide
CID 43508144
3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506958
N-[3-(dimethoxymethyl)phenyl]ethanesulfonamide
CID 168924991
N-methyl-3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506750
N-propan-2-yl-3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506700
1-[1-(2-aminoethylamino)ethyl]-3-(dimethylsulfamoylamino)benzene
CID 66658186
3-[1-(propylamino)ethyl]benzenethiol
CID 64666341
N-[3-[1-(propylamino)ethyl]phenyl]cycloheptanamine
CID 82933701
N-[1-(3-propylphenyl)ethyl]propan-1-amine
CID 116544021
1-(2-methylbutan-2-yl)-3-[3-[1-(propylamino)ethyl]phenyl]urea
CID 61340529
N-[(1R)-1-(3-nitrophenyl)ethyl]propan-1-amine
CID 28608665

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(propylamino)ethyl]phenyl]ethanesulfonamide?
The IUPAC name of N-[3-[1-(propylamino)ethyl]phenyl]ethanesulfonamide (CID 43508153) is N-[3-[1-(propylamino)ethyl]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[3-[1-(propylamino)ethyl]phenyl]ethanesulfonamide?
The canonical SMILES for N-[3-[1-(propylamino)ethyl]phenyl]ethanesulfonamide is CCCNC(C)c1cccc(NS(=O)(=O)CC)c1.
What is the InChIKey of N-[3-[1-(propylamino)ethyl]phenyl]ethanesulfonamide?
The InChIKey is RBXBFFYLFTZMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-4-9-14-11(3)12-7-6-8-13(10-12)15-18(16,17)5-2/h6-8,10-11,14-15H,4-5,9H2,1-3H3.
What are the key properties of N-[3-[1-(propylamino)ethyl]phenyl]ethanesulfonamide?
N-[3-[1-(propylamino)ethyl]phenyl]ethanesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(propylamino)ethyl]phenyl]ethanesulfonamide is sourced from PubChem (CID 43508153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).