N'-ethyl-N-(2-methylsulfonylethyl)-N'-phenylethane-1,2-diamine

C13H22N2O2S — CID 62573370

IUPACN'-ethyl-N-(2-methylsulfonylethyl)-N'-phenylethane-1,2-diamine
SMILESCCN(CCNCCS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C13H22N2O2S/c1-3-15(13-7-5-4-6-8-13)11-9-14-10-12-18(2,16)17/h4-8,14H,3,9-12H2,1-2H3
InChIKeyRDYBWAKIRVYDCU-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.15
Rot. Bonds8

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

N'-ethyl-N-(2-methylsulfonylethyl)-N'-phenylethane-1,2-diamine (PubChem CID 62573370) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is N'-ethyl-N-(2-methylsulfonylethyl)-N'-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N-(2-methylsulfonylethyl)-N'-phenylethane-1,2-diamine
PubChem CID62573370
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC NameN'-ethyl-N-(2-methylsulfonylethyl)-N'-phenylethane-1,2-diamine
SMILESCCN(CCNCCS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C13H22N2O2S/c1-3-15(13-7-5-4-6-8-13)11-9-14-10-12-18(2,16)17/h4-8,14H,3,9-12H2,1-2H3
InChIKeyRDYBWAKIRVYDCU-UHFFFAOYSA-N
XLogP1.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-N-(2-methylsulfonylethyl)-N'-phenylethane-1,2-diamine
CID 62574258
N'-ethyl-N-heptyl-N'-phenylethane-1,2-diamine
CID 54806414
1-[3-(N-ethylanilino)propyl]-2-methyl-3-(3-methylsulfonylpropyl)guanidine
CID 111390055
N'-ethyl-N'-phenyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 55085608
N,N-diethyl-3-[2-(2-methylsulfonylethylamino)ethoxy]aniline
CID 62583401
sodium 3-(N-ethylanilino)propane-1-sulfonate
CID 23685294
N-(cyclopentylmethyl)-N'-ethyl-N'-phenylethane-1,2-diamine
CID 62575926
N'-methyl-N'-[(2-methylphenyl)methyl]-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 62558392
N,N-diethylaniline
CID 7061
bis(N,N-diethylaniline);sulfuric acid;hydrate
CID 174461445
N'-(4-fluorophenyl)-N'-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 62555231
N-(2-methylsulfonylethyl)-N',N'-dipropylethane-1,2-diamine
CID 62574298

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-(2-methylsulfonylethyl)-N'-phenylethane-1,2-diamine?
The IUPAC name of N'-ethyl-N-(2-methylsulfonylethyl)-N'-phenylethane-1,2-diamine (CID 62573370) is N'-ethyl-N-(2-methylsulfonylethyl)-N'-phenylethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N-(2-methylsulfonylethyl)-N'-phenylethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N-(2-methylsulfonylethyl)-N'-phenylethane-1,2-diamine is CCN(CCNCCS(C)(=O)=O)c1ccccc1.
What is the InChIKey of N'-ethyl-N-(2-methylsulfonylethyl)-N'-phenylethane-1,2-diamine?
The InChIKey is RDYBWAKIRVYDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-3-15(13-7-5-4-6-8-13)11-9-14-10-12-18(2,16)17/h4-8,14H,3,9-12H2,1-2H3.
What are the key properties of N'-ethyl-N-(2-methylsulfonylethyl)-N'-phenylethane-1,2-diamine?
N'-ethyl-N-(2-methylsulfonylethyl)-N'-phenylethane-1,2-diamine has a molecular weight of 270.40 g/mol, XLogP of 1.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-(2-methylsulfonylethyl)-N'-phenylethane-1,2-diamine is sourced from PubChem (CID 62573370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).