N-ethyl-4-[2-(methylamino)pentan-3-yl]benzenesulfonamide

C14H24N2O2S — CID 63200532

IUPACN-ethyl-4-[2-(methylamino)pentan-3-yl]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(C(CC)C(C)NC)cc1
InChIInChI=1S/C14H24N2O2S/c1-5-14(11(3)15-4)12-7-9-13(10-8-12)19(17,18)16-6-2/h7-11,14-16H,5-6H2,1-4H3
InChIKeyVLALHGASYQCSRM-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.09
Rot. Bonds7

About N-ethyl-4-[2-(methylamino)pentan-3-yl]benzenesulfonamide

N-ethyl-4-[2-(methylamino)pentan-3-yl]benzenesulfonamide (PubChem CID 63200532) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-ethyl-4-[2-(methylamino)pentan-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-[2-(methylamino)pentan-3-yl]benzenesulfonamide
PubChem CID63200532
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN-ethyl-4-[2-(methylamino)pentan-3-yl]benzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(C(CC)C(C)NC)cc1
InChIInChI=1S/C14H24N2O2S/c1-5-14(11(3)15-4)12-7-9-13(10-8-12)19(17,18)16-6-2/h7-11,14-16H,5-6H2,1-4H3
InChIKeyVLALHGASYQCSRM-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(methylamino)pentan-3-yl]benzenesulfonamide
CID 55161438
N-ethyl-4-[3-(ethylamino)pentan-2-yl]benzenesulfonamide
CID 63561329
4-butan-2-yl-N-methylbenzenesulfonamide
CID 19684297
N-ethyl-4-(2-oxopentan-3-yl)benzenesulfonamide
CID 55218470
4-[2-(ethylamino)pentan-3-yl]benzenesulfonamide
CID 55162014
N-ethyl-4-(2-methylbutylamino)benzenesulfonamide
CID 43744675
N-ethyl-4-hydroxybenzenesulfonamide
CID 43135494
N-ethyl-4-(methylaminomethyl)benzenesulfonamide
CID 60821797
4-butan-2-yl-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119973417
4-(2-chloro-1-cyanoethyl)-N-ethylbenzenesulfonamide
CID 63216282
4-tert-butyl-N-ethylbenzenesulfonamide
CID 846956
N-(2-aminopropyl)-4-butan-2-ylbenzenesulfonamide
CID 63733152

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[2-(methylamino)pentan-3-yl]benzenesulfonamide?
The IUPAC name of N-ethyl-4-[2-(methylamino)pentan-3-yl]benzenesulfonamide (CID 63200532) is N-ethyl-4-[2-(methylamino)pentan-3-yl]benzenesulfonamide.
What is the SMILES notation for N-ethyl-4-[2-(methylamino)pentan-3-yl]benzenesulfonamide?
The canonical SMILES for N-ethyl-4-[2-(methylamino)pentan-3-yl]benzenesulfonamide is CCNS(=O)(=O)c1ccc(C(CC)C(C)NC)cc1.
What is the InChIKey of N-ethyl-4-[2-(methylamino)pentan-3-yl]benzenesulfonamide?
The InChIKey is VLALHGASYQCSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-5-14(11(3)15-4)12-7-9-13(10-8-12)19(17,18)16-6-2/h7-11,14-16H,5-6H2,1-4H3.
What are the key properties of N-ethyl-4-[2-(methylamino)pentan-3-yl]benzenesulfonamide?
N-ethyl-4-[2-(methylamino)pentan-3-yl]benzenesulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[2-(methylamino)pentan-3-yl]benzenesulfonamide is sourced from PubChem (CID 63200532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).