N-[2-[1-(ethylamino)ethyl]phenyl]propane-2-sulfonamide

C13H22N2O2S — CID 60858301

IUPACN-[2-[1-(ethylamino)ethyl]phenyl]propane-2-sulfonamide
SMILESCCNC(C)c1ccccc1NS(=O)(=O)C(C)C
InChIInChI=1S/C13H22N2O2S/c1-5-14-11(4)12-8-6-7-9-13(12)15-18(16,17)10(2)3/h6-11,14-15H,5H2,1-4H3
InChIKeyXBCSADHURRFGNY-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.51
Rot. Bonds6

About N-[2-[1-(ethylamino)ethyl]phenyl]propane-2-sulfonamide

N-[2-[1-(ethylamino)ethyl]phenyl]propane-2-sulfonamide (PubChem CID 60858301) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-[2-[1-(ethylamino)ethyl]phenyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[1-(ethylamino)ethyl]phenyl]propane-2-sulfonamide
PubChem CID60858301
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-[2-[1-(ethylamino)ethyl]phenyl]propane-2-sulfonamide
SMILESCCNC(C)c1ccccc1NS(=O)(=O)C(C)C
InChIInChI=1S/C13H22N2O2S/c1-5-14-11(4)12-8-6-7-9-13(12)15-18(16,17)10(2)3/h6-11,14-15H,5H2,1-4H3
InChIKeyXBCSADHURRFGNY-UHFFFAOYSA-N
XLogP2.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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-[1-(ethylamino)ethyl]phenyl]propane-1-sulfonamide
CID 43508200
1-[1-(ethylamino)ethyl]-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 61455736
N-[2-[1-(ethylamino)ethyl]phenyl]-3-methylbutane-1-sulfonamide
CID 63856595
N-[2-[1-(ethylamino)ethyl]phenyl]butane-1-sulfonamide
CID 43508199
2-ethoxy-N-[2-[1-(ethylamino)ethyl]phenyl]ethanesulfonamide
CID 63245696
ethyl N-[[2-[1-(ethylamino)ethyl]phenyl]sulfamoyl]carbamate
CID 114463183
N-ethyl-1-(2-ethylphenyl)ethanamine
CID 115781037
3-[2-[1-(ethylamino)ethyl]phenyl]-1,1-dimethylurea
CID 79154848
N-(2-bromophenyl)propane-2-sulfonamide
CID 60864383
N-ethyl-1-(2-propan-2-ylsulfanylphenyl)ethanamine
CID 60885151
N-[2-[1-(ethylamino)ethyl]phenyl]-3,3-dimethylbutanamide
CID 43508002
N-ethyl-1-(2-methyl-3-pyridinyl)ethanamine
CID 105082350

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(ethylamino)ethyl]phenyl]propane-2-sulfonamide?
The IUPAC name of N-[2-[1-(ethylamino)ethyl]phenyl]propane-2-sulfonamide (CID 60858301) is N-[2-[1-(ethylamino)ethyl]phenyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-[1-(ethylamino)ethyl]phenyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-[1-(ethylamino)ethyl]phenyl]propane-2-sulfonamide is CCNC(C)c1ccccc1NS(=O)(=O)C(C)C.
What is the InChIKey of N-[2-[1-(ethylamino)ethyl]phenyl]propane-2-sulfonamide?
The InChIKey is XBCSADHURRFGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-5-14-11(4)12-8-6-7-9-13(12)15-18(16,17)10(2)3/h6-11,14-15H,5H2,1-4H3.
What are the key properties of N-[2-[1-(ethylamino)ethyl]phenyl]propane-2-sulfonamide?
N-[2-[1-(ethylamino)ethyl]phenyl]propane-2-sulfonamide has a molecular weight of 270.40 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(ethylamino)ethyl]phenyl]propane-2-sulfonamide is sourced from PubChem (CID 60858301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).