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

C13H22N2O3S — CID 55172472

IUPACN'-(2-methoxyethyl)-N'-(4-methylsulfonylphenyl)propane-1,3-diamine
SMILESCOCCN(CCCN)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C13H22N2O3S/c1-18-11-10-15(9-3-8-14)12-4-6-13(7-5-12)19(2,16)17/h4-7H,3,8-11,14H2,1-2H3
InChIKeyRYSQSNHHIWDDMW-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.89
Rot. Bonds8

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

N'-(2-methoxyethyl)-N'-(4-methylsulfonylphenyl)propane-1,3-diamine (PubChem CID 55172472) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N'-(2-methoxyethyl)-N'-(4-methylsulfonylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-methoxyethyl)-N'-(4-methylsulfonylphenyl)propane-1,3-diamine
PubChem CID55172472
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN'-(2-methoxyethyl)-N'-(4-methylsulfonylphenyl)propane-1,3-diamine
SMILESCOCCN(CCCN)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C13H22N2O3S/c1-18-11-10-15(9-3-8-14)12-4-6-13(7-5-12)19(2,16)17/h4-7H,3,8-11,14H2,1-2H3
InChIKeyRYSQSNHHIWDDMW-UHFFFAOYSA-N
XLogP0.89
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(4-ethylsulfonylphenyl)-N'-(2-methoxyethyl)propane-1,3-diamine
CID 63287115
N'-(2-methoxyethyl)-N'-(3-methylsulfonyl-2-pyridinyl)propane-1,3-diamine
CID 114598399
N'-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-N'-phenylpropane-1,3-diamine
CID 104561042
N'-(2-ethylsulfonylethyl)-N'-(4-methoxyphenyl)propane-1,3-diamine
CID 43807496
N,N-diethyl-4-methylsulfonylaniline
CID 145223146
N'-(2-methoxyethyl)-N'-pyrimidin-2-ylpropane-1,3-diamine
CID 63287337
N-(3-aminopropyl)-N-(2-methoxyethyl)-3,4-dimethylbenzenesulfonamide
CID 63287373
4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 54984969
N-(2-chloroethyl)-4-methylsulfonyl-N-propylaniline
CID 55184252
6-[N-(6-hydroxyhexyl)-4-[2-(4-methylsulfonylphenyl)ethenyl]anilino]hexan-1-ol
CID 54060983
4-amino-N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]butanamide
CID 119306199
N-(2-methoxyethyl)-N-methyl-3-methylsulfonylbenzamide
CID 69372704

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxyethyl)-N'-(4-methylsulfonylphenyl)propane-1,3-diamine?
The IUPAC name of N'-(2-methoxyethyl)-N'-(4-methylsulfonylphenyl)propane-1,3-diamine (CID 55172472) is N'-(2-methoxyethyl)-N'-(4-methylsulfonylphenyl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-methoxyethyl)-N'-(4-methylsulfonylphenyl)propane-1,3-diamine?
The canonical SMILES for N'-(2-methoxyethyl)-N'-(4-methylsulfonylphenyl)propane-1,3-diamine is COCCN(CCCN)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N'-(2-methoxyethyl)-N'-(4-methylsulfonylphenyl)propane-1,3-diamine?
The InChIKey is RYSQSNHHIWDDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-18-11-10-15(9-3-8-14)12-4-6-13(7-5-12)19(2,16)17/h4-7H,3,8-11,14H2,1-2H3.
What are the key properties of N'-(2-methoxyethyl)-N'-(4-methylsulfonylphenyl)propane-1,3-diamine?
N'-(2-methoxyethyl)-N'-(4-methylsulfonylphenyl)propane-1,3-diamine has a molecular weight of 286.40 g/mol, XLogP of 0.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxyethyl)-N'-(4-methylsulfonylphenyl)propane-1,3-diamine is sourced from PubChem (CID 55172472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).