3-[1-(methylamino)ethyl]-N-pentan-3-ylbenzenesulfonamide

C14H24N2O2S — CID 43506746

IUPAC3-[1-(methylamino)ethyl]-N-pentan-3-ylbenzenesulfonamide
SMILESCCC(CC)NS(=O)(=O)c1cccc(C(C)NC)c1
InChIInChI=1S/C14H24N2O2S/c1-5-13(6-2)16-19(17,18)14-9-7-8-12(10-14)11(3)15-4/h7-11,13,15-16H,5-6H2,1-4H3
InChIKeyLPSLJJQVRYHJBJ-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.43
Rot. Bonds7

About 3-[1-(methylamino)ethyl]-N-pentan-3-ylbenzenesulfonamide

3-[1-(methylamino)ethyl]-N-pentan-3-ylbenzenesulfonamide (PubChem CID 43506746) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 3-[1-(methylamino)ethyl]-N-pentan-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-[1-(methylamino)ethyl]-N-pentan-3-ylbenzenesulfonamide
PubChem CID43506746
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name3-[1-(methylamino)ethyl]-N-pentan-3-ylbenzenesulfonamide
SMILESCCC(CC)NS(=O)(=O)c1cccc(C(C)NC)c1
InChIInChI=1S/C14H24N2O2S/c1-5-13(6-2)16-19(17,18)14-9-7-8-12(10-14)11(3)15-4/h7-11,13,15-16H,5-6H2,1-4H3
InChIKeyLPSLJJQVRYHJBJ-UHFFFAOYSA-N
XLogP2.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-hydroxypropyl)-N-pentan-3-ylbenzenesulfonamide
CID 60874171
(1R)-N-methyl-1-(3-methylsulfonylphenyl)ethanamine
CID 130699454
N-methyl-1-(3-methylsulfonylphenyl)ethanamine
CID 112704192
3-(pentan-3-ylsulfamoyl)benzenesulfonyl chloride
CID 43108680
N-ethyl-N-methyl-3-[1-(methylamino)ethyl]benzenesulfonamide
CID 43507037
3-[1-(methylamino)ethyl]-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83142320
N-(cyclopropylmethyl)-3-[1-(methylamino)ethyl]benzenesulfonamide
CID 43506800
N-propan-2-yl-3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506700
N-methyl-3-[1-(methylamino)ethyl]-N-propylbenzenesulfonamide
CID 43507081
3-[1-(methylamino)ethyl]-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63957668
N-methyl-3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506750
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[1-(methylamino)ethyl]benzenesulfonamide
CID 107642106

Frequently Asked Questions

What is the IUPAC name of 3-[1-(methylamino)ethyl]-N-pentan-3-ylbenzenesulfonamide?
The IUPAC name of 3-[1-(methylamino)ethyl]-N-pentan-3-ylbenzenesulfonamide (CID 43506746) is 3-[1-(methylamino)ethyl]-N-pentan-3-ylbenzenesulfonamide.
What is the SMILES notation for 3-[1-(methylamino)ethyl]-N-pentan-3-ylbenzenesulfonamide?
The canonical SMILES for 3-[1-(methylamino)ethyl]-N-pentan-3-ylbenzenesulfonamide is CCC(CC)NS(=O)(=O)c1cccc(C(C)NC)c1.
What is the InChIKey of 3-[1-(methylamino)ethyl]-N-pentan-3-ylbenzenesulfonamide?
The InChIKey is LPSLJJQVRYHJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-5-13(6-2)16-19(17,18)14-9-7-8-12(10-14)11(3)15-4/h7-11,13,15-16H,5-6H2,1-4H3.
What are the key properties of 3-[1-(methylamino)ethyl]-N-pentan-3-ylbenzenesulfonamide?
3-[1-(methylamino)ethyl]-N-pentan-3-ylbenzenesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(methylamino)ethyl]-N-pentan-3-ylbenzenesulfonamide is sourced from PubChem (CID 43506746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).