1-cyclopropyl-N-methyl-N-(2-methylsulfonylphenyl)ethane-1,2-diamine

C13H20N2O2S — CID 116653304

IUPAC1-cyclopropyl-N-methyl-N-(2-methylsulfonylphenyl)ethane-1,2-diamine
SMILESCN(c1ccccc1S(C)(=O)=O)C(CN)C1CC1
InChIInChI=1S/C13H20N2O2S/c1-15(12(9-14)10-7-8-10)11-5-3-4-6-13(11)18(2,16)17/h3-6,10,12H,7-9,14H2,1-2H3
InChIKeyWRWDUIIBCDTKNV-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.26
Rot. Bonds5

About 1-cyclopropyl-N-methyl-N-(2-methylsulfonylphenyl)ethane-1,2-diamine

1-cyclopropyl-N-methyl-N-(2-methylsulfonylphenyl)ethane-1,2-diamine (PubChem CID 116653304) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-N-(2-methylsulfonylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-N-(2-methylsulfonylphenyl)ethane-1,2-diamine
PubChem CID116653304
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name1-cyclopropyl-N-methyl-N-(2-methylsulfonylphenyl)ethane-1,2-diamine
SMILESCN(c1ccccc1S(C)(=O)=O)C(CN)C1CC1
InChIInChI=1S/C13H20N2O2S/c1-15(12(9-14)10-7-8-10)11-5-3-4-6-13(11)18(2,16)17/h3-6,10,12H,7-9,14H2,1-2H3
InChIKeyWRWDUIIBCDTKNV-UHFFFAOYSA-N
XLogP1.26
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-N-(2-methylsulfonylphenyl)ethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-methyl-N-(2-methylsulfonylphenyl)ethane-1,2-diamine (CID 116653304) is 1-cyclopropyl-N-methyl-N-(2-methylsulfonylphenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-N-(2-methylsulfonylphenyl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-methyl-N-(2-methylsulfonylphenyl)ethane-1,2-diamine is CN(c1ccccc1S(C)(=O)=O)C(CN)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-methyl-N-(2-methylsulfonylphenyl)ethane-1,2-diamine?
The InChIKey is WRWDUIIBCDTKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-15(12(9-14)10-7-8-10)11-5-3-4-6-13(11)18(2,16)17/h3-6,10,12H,7-9,14H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-methyl-N-(2-methylsulfonylphenyl)ethane-1,2-diamine?
1-cyclopropyl-N-methyl-N-(2-methylsulfonylphenyl)ethane-1,2-diamine has a molecular weight of 268.38 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-N-(2-methylsulfonylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 116653304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).