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

C13H20N2O2S — CID 62587825

IUPACN-cyclopropyl-N'-methyl-N'-(2-methylsulfonylphenyl)ethane-1,2-diamine
SMILESCN(CCNC1CC1)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C13H20N2O2S/c1-15(10-9-14-11-7-8-11)12-5-3-4-6-13(12)18(2,16)17/h3-6,11,14H,7-10H2,1-2H3
InChIKeyKIINNVHYNBSFKI-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.28
Rot. Bonds6

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

N-cyclopropyl-N'-methyl-N'-(2-methylsulfonylphenyl)ethane-1,2-diamine (PubChem CID 62587825) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-cyclopropyl-N'-methyl-N'-(2-methylsulfonylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-methyl-N'-(2-methylsulfonylphenyl)ethane-1,2-diamine
PubChem CID62587825
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-cyclopropyl-N'-methyl-N'-(2-methylsulfonylphenyl)ethane-1,2-diamine
SMILESCN(CCNC1CC1)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C13H20N2O2S/c1-15(10-9-14-11-7-8-11)12-5-3-4-6-13(12)18(2,16)17/h3-6,11,14H,7-10H2,1-2H3
InChIKeyKIINNVHYNBSFKI-UHFFFAOYSA-N
XLogP1.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-methyl-N'-(2-methylsulfonylphenyl)ethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-N'-methyl-N'-(2-methylsulfonylphenyl)ethane-1,2-diamine (CID 62587825) is N-cyclopropyl-N'-methyl-N'-(2-methylsulfonylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-N'-methyl-N'-(2-methylsulfonylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-N'-methyl-N'-(2-methylsulfonylphenyl)ethane-1,2-diamine is CN(CCNC1CC1)c1ccccc1S(C)(=O)=O.
What is the InChIKey of N-cyclopropyl-N'-methyl-N'-(2-methylsulfonylphenyl)ethane-1,2-diamine?
The InChIKey is KIINNVHYNBSFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-15(10-9-14-11-7-8-11)12-5-3-4-6-13(12)18(2,16)17/h3-6,11,14H,7-10H2,1-2H3.
What are the key properties of N-cyclopropyl-N'-methyl-N'-(2-methylsulfonylphenyl)ethane-1,2-diamine?
N-cyclopropyl-N'-methyl-N'-(2-methylsulfonylphenyl)ethane-1,2-diamine has a molecular weight of 268.38 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-methyl-N'-(2-methylsulfonylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 62587825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).