N'-(2-ethylsulfonylethyl)-N'-(4-methoxyphenyl)propane-1,3-diamine

C14H24N2O3S — CID 43807496

IUPACN'-(2-ethylsulfonylethyl)-N'-(4-methoxyphenyl)propane-1,3-diamine
SMILESCCS(=O)(=O)CCN(CCCN)c1ccc(OC)cc1
InChIInChI=1S/C14H24N2O3S/c1-3-20(17,18)12-11-16(10-4-9-15)13-5-7-14(19-2)8-6-13/h5-8H,3-4,9-12,15H2,1-2H3
InChIKeyBXFRNKPAPKCJEL-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.29
Rot. Bonds9

About N'-(2-ethylsulfonylethyl)-N'-(4-methoxyphenyl)propane-1,3-diamine

N'-(2-ethylsulfonylethyl)-N'-(4-methoxyphenyl)propane-1,3-diamine (PubChem CID 43807496) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N'-(2-ethylsulfonylethyl)-N'-(4-methoxyphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-ethylsulfonylethyl)-N'-(4-methoxyphenyl)propane-1,3-diamine
PubChem CID43807496
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN'-(2-ethylsulfonylethyl)-N'-(4-methoxyphenyl)propane-1,3-diamine
SMILESCCS(=O)(=O)CCN(CCCN)c1ccc(OC)cc1
InChIInChI=1S/C14H24N2O3S/c1-3-20(17,18)12-11-16(10-4-9-15)13-5-7-14(19-2)8-6-13/h5-8H,3-4,9-12,15H2,1-2H3
InChIKeyBXFRNKPAPKCJEL-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(dimethylamino)ethyl]-N'-(4-methoxyphenyl)propane-1,3-diamine
CID 43136363
5-[N-(3-aminopropyl)-4-methoxyanilino]pentan-1-ol
CID 62227300
2-[N-(3-aminopropyl)-4-methoxyanilino]-N-methyl-N-propan-2-ylacetamide
CID 43319129
3-(N-ethyl-4-methoxyanilino)propane-1-sulfonic acid
CID 139885461
2-[N-(3-aminopropyl)-4-methoxyanilino]-N-propylacetamide
CID 43136352
3-[N-(3-aminopropyl)-4-methoxyanilino]-N-propan-2-ylpropanamide
CID 62624331
N'-(4-ethylsulfonylphenyl)-N'-(2-methoxyethyl)propane-1,3-diamine
CID 63287115
N'-(4-methoxyphenyl)-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine
CID 62698200
N'-(3-methoxyphenyl)-N'-(3-methylsulfonylpropyl)propane-1,3-diamine
CID 63190455
N-(3-aminopropyl)-N-ethyl-4-methoxybenzenesulfonamide
CID 43136907
N'-(4-methoxyphenyl)-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 28770933
N'-(2-methoxyethyl)-N'-(4-methylsulfonylphenyl)propane-1,3-diamine
CID 55172472

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethylsulfonylethyl)-N'-(4-methoxyphenyl)propane-1,3-diamine?
The IUPAC name of N'-(2-ethylsulfonylethyl)-N'-(4-methoxyphenyl)propane-1,3-diamine (CID 43807496) is N'-(2-ethylsulfonylethyl)-N'-(4-methoxyphenyl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-ethylsulfonylethyl)-N'-(4-methoxyphenyl)propane-1,3-diamine?
The canonical SMILES for N'-(2-ethylsulfonylethyl)-N'-(4-methoxyphenyl)propane-1,3-diamine is CCS(=O)(=O)CCN(CCCN)c1ccc(OC)cc1.
What is the InChIKey of N'-(2-ethylsulfonylethyl)-N'-(4-methoxyphenyl)propane-1,3-diamine?
The InChIKey is BXFRNKPAPKCJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-3-20(17,18)12-11-16(10-4-9-15)13-5-7-14(19-2)8-6-13/h5-8H,3-4,9-12,15H2,1-2H3.
What are the key properties of N'-(2-ethylsulfonylethyl)-N'-(4-methoxyphenyl)propane-1,3-diamine?
N'-(2-ethylsulfonylethyl)-N'-(4-methoxyphenyl)propane-1,3-diamine has a molecular weight of 300.42 g/mol, XLogP of 1.29, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethylsulfonylethyl)-N'-(4-methoxyphenyl)propane-1,3-diamine is sourced from PubChem (CID 43807496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).