N',N'-dimethyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine

C11H18N2O2S — CID 4178933

IUPACN',N'-dimethyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine
SMILESCN(C)CCNc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C11H18N2O2S/c1-13(2)9-8-12-10-4-6-11(7-5-10)16(3,14)15/h4-7,12H,8-9H2,1-3H3
InChIKeyYXWXSCWVBSDYIO-UHFFFAOYSA-N
MW242.34 g/mol
LogP1.06
Rot. Bonds5

About N',N'-dimethyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine

N',N'-dimethyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine (PubChem CID 4178933) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is N',N'-dimethyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine
PubChem CID4178933
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC NameN',N'-dimethyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine
SMILESCN(C)CCNc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C11H18N2O2S/c1-13(2)9-8-12-10-4-6-11(7-5-10)16(3,14)15/h4-7,12H,8-9H2,1-3H3
InChIKeyYXWXSCWVBSDYIO-UHFFFAOYSA-N
XLogP1.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine (CID 4178933) is N',N'-dimethyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine is CN(C)CCNc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N',N'-dimethyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine?
The InChIKey is YXWXSCWVBSDYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-13(2)9-8-12-10-4-6-11(7-5-10)16(3,14)15/h4-7,12H,8-9H2,1-3H3.
What are the key properties of N',N'-dimethyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine?
N',N'-dimethyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine has a molecular weight of 242.34 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 4178933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).