N-methyl-3-[1-(methylamino)ethyl]-N-propylbenzenesulfonamide

C13H22N2O2S — CID 43507081

IUPACN-methyl-3-[1-(methylamino)ethyl]-N-propylbenzenesulfonamide
SMILESCCCN(C)S(=O)(=O)c1cccc(C(C)NC)c1
InChIInChI=1S/C13H22N2O2S/c1-5-9-15(4)18(16,17)13-8-6-7-12(10-13)11(2)14-3/h6-8,10-11,14H,5,9H2,1-4H3
InChIKeyBWJRLVYPYMCPSD-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.00
Rot. Bonds6

About N-methyl-3-[1-(methylamino)ethyl]-N-propylbenzenesulfonamide

N-methyl-3-[1-(methylamino)ethyl]-N-propylbenzenesulfonamide (PubChem CID 43507081) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N-methyl-3-[1-(methylamino)ethyl]-N-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-[1-(methylamino)ethyl]-N-propylbenzenesulfonamide
PubChem CID43507081
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN-methyl-3-[1-(methylamino)ethyl]-N-propylbenzenesulfonamide
SMILESCCCN(C)S(=O)(=O)c1cccc(C(C)NC)c1
InChIInChI=1S/C13H22N2O2S/c1-5-9-15(4)18(16,17)13-8-6-7-12(10-13)11(2)14-3/h6-8,10-11,14H,5,9H2,1-4H3
InChIKeyBWJRLVYPYMCPSD-UHFFFAOYSA-N
XLogP2.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-methyl-3-[1-(methylamino)ethyl]benzenesulfonamide
CID 43507037
N-methyl-N-(2-methylpropyl)-3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43507085
N-methyl-1-(3-methylsulfonylphenyl)ethanamine
CID 112704192
(1R)-N-methyl-1-(3-methylsulfonylphenyl)ethanamine
CID 130699454
3-bromo-N-methyl-N-propylbenzenesulfonamide
CID 60823312
N-(2-ethoxyethyl)-N-methyl-3-[1-(methylamino)propyl]benzenesulfonamide
CID 81036858
3-[1-(methylamino)ethyl]-N-pentan-3-ylbenzenesulfonamide
CID 43506746
N-methyl-3-[1-(methylamino)propyl]-N-propan-2-ylbenzenesulfonamide
CID 60872266
3-(1-aminopropyl)-N-methyl-N-(3-methylbutyl)benzenesulfonamide
CID 61429113
4-[1-(ethylamino)ethyl]-N-methyl-N-propylbenzenesulfonamide
CID 43507083
N-[3-(dimethylamino)propyl]-N-methyl-4-[1-(methylamino)ethyl]benzenesulfonamide
CID 63700082
3-(1-aminoethyl)-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 61428330

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[1-(methylamino)ethyl]-N-propylbenzenesulfonamide?
The IUPAC name of N-methyl-3-[1-(methylamino)ethyl]-N-propylbenzenesulfonamide (CID 43507081) is N-methyl-3-[1-(methylamino)ethyl]-N-propylbenzenesulfonamide.
What is the SMILES notation for N-methyl-3-[1-(methylamino)ethyl]-N-propylbenzenesulfonamide?
The canonical SMILES for N-methyl-3-[1-(methylamino)ethyl]-N-propylbenzenesulfonamide is CCCN(C)S(=O)(=O)c1cccc(C(C)NC)c1.
What is the InChIKey of N-methyl-3-[1-(methylamino)ethyl]-N-propylbenzenesulfonamide?
The InChIKey is BWJRLVYPYMCPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-5-9-15(4)18(16,17)13-8-6-7-12(10-13)11(2)14-3/h6-8,10-11,14H,5,9H2,1-4H3.
What are the key properties of N-methyl-3-[1-(methylamino)ethyl]-N-propylbenzenesulfonamide?
N-methyl-3-[1-(methylamino)ethyl]-N-propylbenzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[1-(methylamino)ethyl]-N-propylbenzenesulfonamide is sourced from PubChem (CID 43507081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).