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

C12H20N2O2S — CID 62574258

IUPACN'-methyl-N-(2-methylsulfonylethyl)-N'-phenylethane-1,2-diamine
SMILESCN(CCNCCS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C12H20N2O2S/c1-14(12-6-4-3-5-7-12)10-8-13-9-11-17(2,15)16/h3-7,13H,8-11H2,1-2H3
InChIKeyVQQXKKXBCKCVHL-UHFFFAOYSA-N
MW256.37 g/mol
LogP0.76
Rot. Bonds7

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

N'-methyl-N-(2-methylsulfonylethyl)-N'-phenylethane-1,2-diamine (PubChem CID 62574258) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N'-methyl-N-(2-methylsulfonylethyl)-N'-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-(2-methylsulfonylethyl)-N'-phenylethane-1,2-diamine
PubChem CID62574258
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC NameN'-methyl-N-(2-methylsulfonylethyl)-N'-phenylethane-1,2-diamine
SMILESCN(CCNCCS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C12H20N2O2S/c1-14(12-6-4-3-5-7-12)10-8-13-9-11-17(2,15)16/h3-7,13H,8-11H2,1-2H3
InChIKeyVQQXKKXBCKCVHL-UHFFFAOYSA-N
XLogP0.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 50.76
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'-(4-fluorophenyl)-N'-methyl-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 62555231
N'-ethyl-N-(2-methylsulfonylethyl)-N'-phenylethane-1,2-diamine
CID 62573370
N-(3,3-dimethylbutyl)-N'-methyl-N'-phenylethane-1,2-diamine
CID 55085467
N'-methyl-N'-[(2-methylphenyl)methyl]-N-(2-methylsulfonylethyl)ethane-1,2-diamine
CID 62558392
6-[2-(N-methylanilino)ethylamino]hexan-1-ol
CID 70258646
N',N'-dimethyl-N-[3-(N-methylanilino)propyl]propane-1,3-diamine
CID 114525044
3,5-dimethyl-N-[2-(N-methylanilino)ethyl]-1H-pyrazole-4-sulfonamide
CID 43402494
N-(2-benzylsulfanylethyl)-N'-methyl-N'-phenylethane-1,2-diamine
CID 118584731
4-amino-5-methyl-N-[2-(N-methylanilino)ethyl]-1H-pyrazole-3-carboxamide
CID 62080891
N-[2-(N-methylanilino)ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 132656451
ethane;N'-methyl-N,N'-diphenylethane-1,2-diamine
CID 142921032
N-tert-butyl-N'-methyl-N'-phenylethane-1,2-diamine
CID 54807376

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(2-methylsulfonylethyl)-N'-phenylethane-1,2-diamine?
The IUPAC name of N'-methyl-N-(2-methylsulfonylethyl)-N'-phenylethane-1,2-diamine (CID 62574258) is N'-methyl-N-(2-methylsulfonylethyl)-N'-phenylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-(2-methylsulfonylethyl)-N'-phenylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-(2-methylsulfonylethyl)-N'-phenylethane-1,2-diamine is CN(CCNCCS(C)(=O)=O)c1ccccc1.
What is the InChIKey of N'-methyl-N-(2-methylsulfonylethyl)-N'-phenylethane-1,2-diamine?
The InChIKey is VQQXKKXBCKCVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-14(12-6-4-3-5-7-12)10-8-13-9-11-17(2,15)16/h3-7,13H,8-11H2,1-2H3.
What are the key properties of N'-methyl-N-(2-methylsulfonylethyl)-N'-phenylethane-1,2-diamine?
N'-methyl-N-(2-methylsulfonylethyl)-N'-phenylethane-1,2-diamine has a molecular weight of 256.37 g/mol, XLogP of 0.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(2-methylsulfonylethyl)-N'-phenylethane-1,2-diamine is sourced from PubChem (CID 62574258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).