N'-(4-ethylsulfonylphenyl)-N'-(2-methoxyethyl)propane-1,3-diamine

C14H24N2O3S — CID 63287115

IUPACN'-(4-ethylsulfonylphenyl)-N'-(2-methoxyethyl)propane-1,3-diamine
SMILESCCS(=O)(=O)c1ccc(N(CCCN)CCOC)cc1
InChIInChI=1S/C14H24N2O3S/c1-3-20(17,18)14-7-5-13(6-8-14)16(10-4-9-15)11-12-19-2/h5-8H,3-4,9-12,15H2,1-2H3
InChIKeyAFUGEXHTMQFCPM-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.28
Rot. Bonds9

About N'-(4-ethylsulfonylphenyl)-N'-(2-methoxyethyl)propane-1,3-diamine

N'-(4-ethylsulfonylphenyl)-N'-(2-methoxyethyl)propane-1,3-diamine (PubChem CID 63287115) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N'-(4-ethylsulfonylphenyl)-N'-(2-methoxyethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-ethylsulfonylphenyl)-N'-(2-methoxyethyl)propane-1,3-diamine
PubChem CID63287115
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN'-(4-ethylsulfonylphenyl)-N'-(2-methoxyethyl)propane-1,3-diamine
SMILESCCS(=O)(=O)c1ccc(N(CCCN)CCOC)cc1
InChIInChI=1S/C14H24N2O3S/c1-3-20(17,18)14-7-5-13(6-8-14)16(10-4-9-15)11-12-19-2/h5-8H,3-4,9-12,15H2,1-2H3
InChIKeyAFUGEXHTMQFCPM-UHFFFAOYSA-N
XLogP1.28
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N'-(4-ethylsulfonylphenyl)-N'-(2-methoxyethyl)propane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(2-methoxyethyl)-N'-(4-methylsulfonylphenyl)propane-1,3-diamine
CID 55172472
N'-(2-ethylsulfonylethyl)-N'-(4-methoxyphenyl)propane-1,3-diamine
CID 43807496
N'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N'-phenylpropane-1,3-diamine
CID 104561042
2-(4-ethylsulfonyl-N-propylanilino)ethanol
CID 61425669
N-(2-chloroethyl)-4-ethylsulfonyl-N-propylaniline
CID 63392046
4-(2-aminoethylsulfonyl)-N,N-diethylaniline
CID 84708887
2-(N-butyl-4-ethylsulfonylanilino)acetic acid
CID 18972370
N'-(2-methoxyethyl)-N'-(3-methylsulfonyl-2-pyridinyl)propane-1,3-diamine
CID 114598399
N'-(2-methoxyethyl)-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 63287337
4-(aminomethyl)-N-(4-ethylsulfonylphenyl)-N-methylaniline
CID 62971157
N-(3-aminopropyl)-N-(2-methoxyethyl)-3,4-dimethylbenzenesulfonamide
CID 63287373
4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 54984969

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethylsulfonylphenyl)-N'-(2-methoxyethyl)propane-1,3-diamine?
The IUPAC name of N'-(4-ethylsulfonylphenyl)-N'-(2-methoxyethyl)propane-1,3-diamine (CID 63287115) is N'-(4-ethylsulfonylphenyl)-N'-(2-methoxyethyl)propane-1,3-diamine.
What is the SMILES notation for N'-(4-ethylsulfonylphenyl)-N'-(2-methoxyethyl)propane-1,3-diamine?
The canonical SMILES for N'-(4-ethylsulfonylphenyl)-N'-(2-methoxyethyl)propane-1,3-diamine is CCS(=O)(=O)c1ccc(N(CCCN)CCOC)cc1.
What is the InChIKey of N'-(4-ethylsulfonylphenyl)-N'-(2-methoxyethyl)propane-1,3-diamine?
The InChIKey is AFUGEXHTMQFCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-3-20(17,18)14-7-5-13(6-8-14)16(10-4-9-15)11-12-19-2/h5-8H,3-4,9-12,15H2,1-2H3.
What are the key properties of N'-(4-ethylsulfonylphenyl)-N'-(2-methoxyethyl)propane-1,3-diamine?
N'-(4-ethylsulfonylphenyl)-N'-(2-methoxyethyl)propane-1,3-diamine has a molecular weight of 300.42 g/mol, XLogP of 1.28, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethylsulfonylphenyl)-N'-(2-methoxyethyl)propane-1,3-diamine is sourced from PubChem (CID 63287115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).