N'-ethyl-N'-(2-methoxyethyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine

C10H24N2O3S — CID 62554317

IUPACN'-ethyl-N'-(2-methoxyethyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine
SMILESCCN(CCNCCS(C)(=O)=O)CCOC
InChIInChI=1S/C10H24N2O3S/c1-4-12(8-9-15-2)7-5-11-6-10-16(3,13)14/h11H,4-10H2,1-3H3
InChIKeyRPNMDVFQIRUBIF-UHFFFAOYSA-N
MW252.38 g/mol
LogP-0.41
Rot. Bonds10

About N'-ethyl-N'-(2-methoxyethyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine

N'-ethyl-N'-(2-methoxyethyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine (PubChem CID 62554317) has the molecular formula C10H24N2O3S and a molecular weight of 252.38 g/mol. Its IUPAC name is N'-ethyl-N'-(2-methoxyethyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(2-methoxyethyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine
PubChem CID62554317
Molecular FormulaC10H24N2O3S
Molecular Weight252.38 g/mol
Exact Mass252.15
IUPAC NameN'-ethyl-N'-(2-methoxyethyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine
SMILESCCN(CCNCCS(C)(=O)=O)CCOC
InChIInChI=1S/C10H24N2O3S/c1-4-12(8-9-15-2)7-5-11-6-10-16(3,13)14/h11H,4-10H2,1-3H3
InChIKeyRPNMDVFQIRUBIF-UHFFFAOYSA-N
XLogP-0.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-diethyl-N'-(2-methoxyethyl)ethane-1,2-diamine
CID 18965073
N-(2-methylsulfonylethyl)-N',N'-dipropylethane-1,2-diamine
CID 62574298
N'-ethyl-N-(2-methylsulfonylethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55089721
N'-ethyl-N'-(2-methylbutyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 79482047
N-[2-(diethylamino)ethyl]-N'-methyl-N'-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 79859242
N-(2-butoxyethyl)-N'-ethyl-N'-(2-methoxyethyl)ethane-1,2-diamine
CID 62554321
N'-butyl-N'-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 62575465
N'-(2-ethoxyethyl)-N'-ethyl-N-(3-methoxypropyl)ethane-1,2-diamine
CID 63692336
3-[ethyl(2-methoxyethyl)amino]propane-1-sulfonyl chloride
CID 112594673
N'-ethyl-N'-(2-methoxyethyl)-N-(2-thiophen-3-ylethyl)ethane-1,2-diamine
CID 62554315
N-ethyl-N-(2-methoxyethyl)propan-1-amine
CID 59535628
ethane;N-ethyl-N-(2-methoxyethyl)propan-1-amine
CID 143133671

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(2-methoxyethyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(2-methoxyethyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine (CID 62554317) is N'-ethyl-N'-(2-methoxyethyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(2-methoxyethyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(2-methoxyethyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine is CCN(CCNCCS(C)(=O)=O)CCOC.
What is the InChIKey of N'-ethyl-N'-(2-methoxyethyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine?
The InChIKey is RPNMDVFQIRUBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O3S/c1-4-12(8-9-15-2)7-5-11-6-10-16(3,13)14/h11H,4-10H2,1-3H3.
What are the key properties of N'-ethyl-N'-(2-methoxyethyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine?
N'-ethyl-N'-(2-methoxyethyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine has a molecular weight of 252.38 g/mol, XLogP of -0.41, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(2-methoxyethyl)-N-(2-methylsulfonylethyl)ethane-1,2-diamine is sourced from PubChem (CID 62554317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).