4-[2-(ethylamino)pentan-3-yl]benzenesulfonamide

C13H22N2O2S — CID 55162014

IUPAC4-[2-(ethylamino)pentan-3-yl]benzenesulfonamide
SMILESCCNC(C)C(CC)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H22N2O2S/c1-4-13(10(3)15-5-2)11-6-8-12(9-7-11)18(14,16)17/h6-10,13,15H,4-5H2,1-3H3,(H2,14,16,17)
InChIKeyMTVFEKPXPJWPLY-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.83
Rot. Bonds6

About 4-[2-(ethylamino)pentan-3-yl]benzenesulfonamide

4-[2-(ethylamino)pentan-3-yl]benzenesulfonamide (PubChem CID 55162014) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 4-[2-(ethylamino)pentan-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(ethylamino)pentan-3-yl]benzenesulfonamide
PubChem CID55162014
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name4-[2-(ethylamino)pentan-3-yl]benzenesulfonamide
SMILESCCNC(C)C(CC)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H22N2O2S/c1-4-13(10(3)15-5-2)11-6-8-12(9-7-11)18(14,16)17/h6-10,13,15H,4-5H2,1-3H3,(H2,14,16,17)
InChIKeyMTVFEKPXPJWPLY-UHFFFAOYSA-N
XLogP1.83
TPSA72.19 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 ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(methylamino)pentan-3-yl]benzenesulfonamide
CID 55161438
6-[2-(ethylamino)pentan-3-yl]pyridine-3-sulfonamide
CID 63200486
N-ethyl-3-(4-methylphenyl)pentan-2-amine
CID 66436565
N-ethyl-4-[2-(methylamino)pentan-3-yl]benzenesulfonamide
CID 63200532
4-pentan-2-ylbenzenesulfonamide
CID 134449965
potassium 4-propan-2-ylbenzenesulfonamide
CID 19095755
N-ethyl-3-(4-propan-2-ylphenyl)sulfonylbutan-2-amine
CID 64639394
4-[(2S)-butan-2-yl]-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 2524649
4-[1-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]benzenesulfonamide
CID 104980890
4-[1-(sulfamoylamino)ethyl]benzenesulfonamide
CID 112684101
4-[1-(3-aminopropylamino)ethyl]benzenesulfonamide
CID 60890115
4-[3-(ethylamino)butan-2-yl]-N-propan-2-ylbenzenesulfonamide
CID 63200044

Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethylamino)pentan-3-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(ethylamino)pentan-3-yl]benzenesulfonamide (CID 55162014) is 4-[2-(ethylamino)pentan-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(ethylamino)pentan-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(ethylamino)pentan-3-yl]benzenesulfonamide is CCNC(C)C(CC)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[2-(ethylamino)pentan-3-yl]benzenesulfonamide?
The InChIKey is MTVFEKPXPJWPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-4-13(10(3)15-5-2)11-6-8-12(9-7-11)18(14,16)17/h6-10,13,15H,4-5H2,1-3H3,(H2,14,16,17).
What are the key properties of 4-[2-(ethylamino)pentan-3-yl]benzenesulfonamide?
4-[2-(ethylamino)pentan-3-yl]benzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(ethylamino)pentan-3-yl]benzenesulfonamide is sourced from PubChem (CID 55162014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).