N-(3-aminopropyl)-N-ethyl-4-methoxybenzenesulfonamide

C12H20N2O3S — CID 43136907

IUPACN-(3-aminopropyl)-N-ethyl-4-methoxybenzenesulfonamide
SMILESCCN(CCCN)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C12H20N2O3S/c1-3-14(10-4-9-13)18(15,16)12-7-5-11(17-2)6-8-12/h5-8H,3-4,9-10,13H2,1-2H3
InChIKeyCFJOYMAEJDEYRO-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.05
Rot. Bonds7

About N-(3-aminopropyl)-N-ethyl-4-methoxybenzenesulfonamide

N-(3-aminopropyl)-N-ethyl-4-methoxybenzenesulfonamide (PubChem CID 43136907) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-ethyl-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-ethyl-4-methoxybenzenesulfonamide
PubChem CID43136907
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC NameN-(3-aminopropyl)-N-ethyl-4-methoxybenzenesulfonamide
SMILESCCN(CCCN)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C12H20N2O3S/c1-3-14(10-4-9-13)18(15,16)12-7-5-11(17-2)6-8-12/h5-8H,3-4,9-10,13H2,1-2H3
InChIKeyCFJOYMAEJDEYRO-UHFFFAOYSA-N
XLogP1.05
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-ethyl-4-propylbenzenesulfonamide
CID 61071536
N,N-bis[2-[bis[(4-methoxyphenyl)sulfonyl]amino]ethyl]-4-methoxybenzenesulfonamide
CID 101372665
N-(3-aminopropyl)-4-methyl-N-propylbenzenesulfonamide
CID 43136951
N-(3-aminopropyl)-N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43136904
4-amino-N-ethyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 113431290
N-(2-hydroxyethyl)-4-methoxy-N-prop-2-enylbenzenesulfonamide
CID 115622115
N,N-dibutyl-4-[(4-methoxyphenyl)sulfonylamino]benzenesulfonamide
CID 2187490
N-(3-aminopropyl)-N-ethyl-4-methoxybenzamide
CID 43136513
N'-(2-ethylsulfonylethyl)-N'-(4-methoxyphenyl)propane-1,3-diamine
CID 43807496
N-[2-(hydroxyamino)oxyethyl]-4-methoxy-N-nonylbenzenesulfonamide
CID 54451158
N-(cyanomethyl)-4-methoxy-N-propylbenzenesulfonamide
CID 61225483
methyl 3-[(4-ethoxyphenyl)sulfonyl-ethylamino]propanoate
CID 61011338

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-ethyl-4-methoxybenzenesulfonamide?
The IUPAC name of N-(3-aminopropyl)-N-ethyl-4-methoxybenzenesulfonamide (CID 43136907) is N-(3-aminopropyl)-N-ethyl-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(3-aminopropyl)-N-ethyl-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(3-aminopropyl)-N-ethyl-4-methoxybenzenesulfonamide is CCN(CCCN)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of N-(3-aminopropyl)-N-ethyl-4-methoxybenzenesulfonamide?
The InChIKey is CFJOYMAEJDEYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-3-14(10-4-9-13)18(15,16)12-7-5-11(17-2)6-8-12/h5-8H,3-4,9-10,13H2,1-2H3.
What are the key properties of N-(3-aminopropyl)-N-ethyl-4-methoxybenzenesulfonamide?
N-(3-aminopropyl)-N-ethyl-4-methoxybenzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-ethyl-4-methoxybenzenesulfonamide is sourced from PubChem (CID 43136907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).