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

C13H20N2O2S — CID 62980103

IUPACN'-cyclopropyl-N'-methyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine
SMILESCN(CCNc1ccc(S(C)(=O)=O)cc1)C1CC1
InChIInChI=1S/C13H20N2O2S/c1-15(12-5-6-12)10-9-14-11-3-7-13(8-4-11)18(2,16)17/h3-4,7-8,12,14H,5-6,9-10H2,1-2H3
InChIKeyGQFZCLPMPDVGGD-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.60
Rot. Bonds6

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

N'-cyclopropyl-N'-methyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine (PubChem CID 62980103) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N'-cyclopropyl-N'-methyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-methyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine
PubChem CID62980103
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN'-cyclopropyl-N'-methyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine
SMILESCN(CCNc1ccc(S(C)(=O)=O)cc1)C1CC1
InChIInChI=1S/C13H20N2O2S/c1-15(12-5-6-12)10-9-14-11-3-7-13(8-4-11)18(2,16)17/h3-4,7-8,12,14H,5-6,9-10H2,1-2H3
InChIKeyGQFZCLPMPDVGGD-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-cyclopropyl-N-(4-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine
CID 62977988
N'-(4-ethylcyclohexyl)-N-(4-fluorophenyl)-N'-methylethane-1,2-diamine
CID 63504348
N-(3,3-dimethylbutyl)-4-methylsulfonylaniline
CID 60911880
N-[2-[cyclopentyl(methyl)amino]ethyl]-N-methyl-4-methylsulfonylbenzenesulfonamide
CID 131929134
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 47813755
N-methyl-N'-(4-methylsulfonylphenyl)butane-1,4-diamine
CID 115201713
5-[2-[cyclopropyl(methyl)amino]ethylamino]pyridine-2-carboxylic acid
CID 104638890
N'-cyclopropyl-N-(2-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine
CID 55142006
4-amino-N-[2-[cyclopropyl(methyl)amino]ethyl]benzenesulfonamide
CID 62975510
4-methylsulfonyl-N-nonylaniline
CID 43129285
N-but-3-ynyl-4-methylsulfonylaniline
CID 63654849
N-cyclopropyl-N-(2-hydroxyethyl)-4-(propylamino)benzenesulfonamide
CID 62151572

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-methyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-methyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine (CID 62980103) is N'-cyclopropyl-N'-methyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-methyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-methyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine is CN(CCNc1ccc(S(C)(=O)=O)cc1)C1CC1.
What is the InChIKey of N'-cyclopropyl-N'-methyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine?
The InChIKey is GQFZCLPMPDVGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-15(12-5-6-12)10-9-14-11-3-7-13(8-4-11)18(2,16)17/h3-4,7-8,12,14H,5-6,9-10H2,1-2H3.
What are the key properties of N'-cyclopropyl-N'-methyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine?
N'-cyclopropyl-N'-methyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine has a molecular weight of 268.38 g/mol, XLogP of 1.60, 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-(4-methylsulfonylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 62980103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).