4-[1-(methylamino)ethyl]-N-pentan-2-ylbenzenesulfonamide

C14H24N2O2S — CID 43506825

IUPAC4-[1-(methylamino)ethyl]-N-pentan-2-ylbenzenesulfonamide
SMILESCCCC(C)NS(=O)(=O)c1ccc(C(C)NC)cc1
InChIInChI=1S/C14H24N2O2S/c1-5-6-11(2)16-19(17,18)14-9-7-13(8-10-14)12(3)15-4/h7-12,15-16H,5-6H2,1-4H3
InChIKeyIGQJWDWDWXHWRY-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.43
Rot. Bonds7

About 4-[1-(methylamino)ethyl]-N-pentan-2-ylbenzenesulfonamide

4-[1-(methylamino)ethyl]-N-pentan-2-ylbenzenesulfonamide (PubChem CID 43506825) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 4-[1-(methylamino)ethyl]-N-pentan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[1-(methylamino)ethyl]-N-pentan-2-ylbenzenesulfonamide
PubChem CID43506825
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name4-[1-(methylamino)ethyl]-N-pentan-2-ylbenzenesulfonamide
SMILESCCCC(C)NS(=O)(=O)c1ccc(C(C)NC)cc1
InChIInChI=1S/C14H24N2O2S/c1-5-6-11(2)16-19(17,18)14-9-7-13(8-10-14)12(3)15-4/h7-12,15-16H,5-6H2,1-4H3
InChIKeyIGQJWDWDWXHWRY-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

4-ethyl-N-pentan-2-ylbenzenesulfonamide
CID 19681870
4-ethoxy-N-pentan-2-ylbenzenesulfonamide
CID 2957183
4-(pentan-2-ylsulfamoyl)benzoic acid
CID 18073108
4-[1-(methylamino)ethyl]-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43507020
3,4-dimethyl-N-[(2R)-pentan-2-yl]benzenesulfonamide
CID 8893165
4-(cyanomethyl)-N-pentan-2-ylbenzenesulfonamide
CID 79185646
3,4-dichloro-N-[(2S)-pentan-2-yl]benzenesulfonamide
CID 8893168
6-(methylamino)-N-pentan-2-ylpyridine-3-sulfonamide
CID 55044216
4-(1-aminoethyl)-N-(6-methylheptan-2-yl)benzenesulfonamide
CID 61470980
4-bromo-N-hexan-2-ylbenzenesulfonamide
CID 55050164
4-(pentan-2-ylamino)-N-propan-2-ylbenzenesulfonamide
CID 43454141
3-chloro-4-(methylaminomethyl)-N-pentan-2-ylbenzenesulfonamide
CID 106046479

Frequently Asked Questions

What is the IUPAC name of 4-[1-(methylamino)ethyl]-N-pentan-2-ylbenzenesulfonamide?
The IUPAC name of 4-[1-(methylamino)ethyl]-N-pentan-2-ylbenzenesulfonamide (CID 43506825) is 4-[1-(methylamino)ethyl]-N-pentan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-[1-(methylamino)ethyl]-N-pentan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-[1-(methylamino)ethyl]-N-pentan-2-ylbenzenesulfonamide is CCCC(C)NS(=O)(=O)c1ccc(C(C)NC)cc1.
What is the InChIKey of 4-[1-(methylamino)ethyl]-N-pentan-2-ylbenzenesulfonamide?
The InChIKey is IGQJWDWDWXHWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-5-6-11(2)16-19(17,18)14-9-7-13(8-10-14)12(3)15-4/h7-12,15-16H,5-6H2,1-4H3.
What are the key properties of 4-[1-(methylamino)ethyl]-N-pentan-2-ylbenzenesulfonamide?
4-[1-(methylamino)ethyl]-N-pentan-2-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 4-[1-(methylamino)ethyl]-N-pentan-2-ylbenzenesulfonamide is sourced from PubChem (CID 43506825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).