N-(2-ethoxyethyl)-N-methyl-3-[1-(methylamino)propyl]benzenesulfonamide

C15H26N2O3S — CID 81036858

IUPACN-(2-ethoxyethyl)-N-methyl-3-[1-(methylamino)propyl]benzenesulfonamide
SMILESCCOCCN(C)S(=O)(=O)c1cccc(C(CC)NC)c1
InChIInChI=1S/C15H26N2O3S/c1-5-15(16-3)13-8-7-9-14(12-13)21(18,19)17(4)10-11-20-6-2/h7-9,12,15-16H,5-6,10-11H2,1-4H3
InChIKeyKXTDLVLCKDHENM-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.01
Rot. Bonds9

About N-(2-ethoxyethyl)-N-methyl-3-[1-(methylamino)propyl]benzenesulfonamide

N-(2-ethoxyethyl)-N-methyl-3-[1-(methylamino)propyl]benzenesulfonamide (PubChem CID 81036858) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-N-methyl-3-[1-(methylamino)propyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-N-methyl-3-[1-(methylamino)propyl]benzenesulfonamide
PubChem CID81036858
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC NameN-(2-ethoxyethyl)-N-methyl-3-[1-(methylamino)propyl]benzenesulfonamide
SMILESCCOCCN(C)S(=O)(=O)c1cccc(C(CC)NC)c1
InChIInChI=1S/C15H26N2O3S/c1-5-15(16-3)13-8-7-9-14(12-13)21(18,19)17(4)10-11-20-6-2/h7-9,12,15-16H,5-6,10-11H2,1-4H3
InChIKeyKXTDLVLCKDHENM-UHFFFAOYSA-N
XLogP2.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-[1-(methylamino)propyl]-N-propan-2-ylbenzenesulfonamide
CID 60872266
N-(cyclobutylmethyl)-N-methyl-3-[1-(methylamino)propyl]benzenesulfonamide
CID 62862419
N-methyl-3-[1-(methylamino)ethyl]-N-propylbenzenesulfonamide
CID 43507081
N-(2-ethoxyethyl)-N-methyl-3-(propylaminomethyl)benzenesulfonamide
CID 81064011
N-methyl-3-[1-(methylamino)propyl]-N-(oxolan-3-yl)benzenesulfonamide
CID 82737506
3-(3-aminoprop-1-ynyl)-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
CID 81062012
N,N-diethyl-3-[1-(ethylamino)propyl]benzenesulfonamide
CID 60873037
N-ethyl-N-methyl-3-[1-(methylamino)ethyl]benzenesulfonamide
CID 43507037
3-(1-aminoethyl)-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 61428330
3-[1-(methylamino)propyl]-N-propylbenzenesulfonamide
CID 60872255
3-(1-aminopropyl)-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61429113
3-(1-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 81057059

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-N-methyl-3-[1-(methylamino)propyl]benzenesulfonamide?
The IUPAC name of N-(2-ethoxyethyl)-N-methyl-3-[1-(methylamino)propyl]benzenesulfonamide (CID 81036858) is N-(2-ethoxyethyl)-N-methyl-3-[1-(methylamino)propyl]benzenesulfonamide.
What is the SMILES notation for N-(2-ethoxyethyl)-N-methyl-3-[1-(methylamino)propyl]benzenesulfonamide?
The canonical SMILES for N-(2-ethoxyethyl)-N-methyl-3-[1-(methylamino)propyl]benzenesulfonamide is CCOCCN(C)S(=O)(=O)c1cccc(C(CC)NC)c1.
What is the InChIKey of N-(2-ethoxyethyl)-N-methyl-3-[1-(methylamino)propyl]benzenesulfonamide?
The InChIKey is KXTDLVLCKDHENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-5-15(16-3)13-8-7-9-14(12-13)21(18,19)17(4)10-11-20-6-2/h7-9,12,15-16H,5-6,10-11H2,1-4H3.
What are the key properties of N-(2-ethoxyethyl)-N-methyl-3-[1-(methylamino)propyl]benzenesulfonamide?
N-(2-ethoxyethyl)-N-methyl-3-[1-(methylamino)propyl]benzenesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 2.01, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-N-methyl-3-[1-(methylamino)propyl]benzenesulfonamide is sourced from PubChem (CID 81036858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).