N'-cyclopropyl-N'-(2-ethylsulfonylphenyl)ethane-1,2-diamine

C13H20N2O2S — CID 63759021

IUPACN'-cyclopropyl-N'-(2-ethylsulfonylphenyl)ethane-1,2-diamine
SMILESCCS(=O)(=O)c1ccccc1N(CCN)C1CC1
InChIInChI=1S/C13H20N2O2S/c1-2-18(16,17)13-6-4-3-5-12(13)15(10-9-14)11-7-8-11/h3-6,11H,2,7-10,14H2,1H3
InChIKeyBPKHGJUEDNHWDC-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.41
Rot. Bonds6

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

N'-cyclopropyl-N'-(2-ethylsulfonylphenyl)ethane-1,2-diamine (PubChem CID 63759021) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N'-cyclopropyl-N'-(2-ethylsulfonylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-(2-ethylsulfonylphenyl)ethane-1,2-diamine
PubChem CID63759021
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN'-cyclopropyl-N'-(2-ethylsulfonylphenyl)ethane-1,2-diamine
SMILESCCS(=O)(=O)c1ccccc1N(CCN)C1CC1
InChIInChI=1S/C13H20N2O2S/c1-2-18(16,17)13-6-4-3-5-12(13)15(10-9-14)11-7-8-11/h3-6,11H,2,7-10,14H2,1H3
InChIKeyBPKHGJUEDNHWDC-UHFFFAOYSA-N
XLogP1.41
TPSA63.40 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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-cyclopropyl-N'-(2-ethylsulfonylphenyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-(2-ethylsulfonylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-(2-ethylsulfonylphenyl)ethane-1,2-diamine (CID 63759021) is N'-cyclopropyl-N'-(2-ethylsulfonylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-(2-ethylsulfonylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-(2-ethylsulfonylphenyl)ethane-1,2-diamine is CCS(=O)(=O)c1ccccc1N(CCN)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-(2-ethylsulfonylphenyl)ethane-1,2-diamine?
The InChIKey is BPKHGJUEDNHWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-2-18(16,17)13-6-4-3-5-12(13)15(10-9-14)11-7-8-11/h3-6,11H,2,7-10,14H2,1H3.
What are the key properties of N'-cyclopropyl-N'-(2-ethylsulfonylphenyl)ethane-1,2-diamine?
N'-cyclopropyl-N'-(2-ethylsulfonylphenyl)ethane-1,2-diamine has a molecular weight of 268.38 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-(2-ethylsulfonylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 63759021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).