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

C14H22N2O2S — CID 55142006

IUPACN'-cyclopropyl-N-(2-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine
SMILESCCS(=O)(=O)c1ccccc1NCCN(C)C1CC1
InChIInChI=1S/C14H22N2O2S/c1-3-19(17,18)14-7-5-4-6-13(14)15-10-11-16(2)12-8-9-12/h4-7,12,15H,3,8-11H2,1-2H3
InChIKeyZUVHOEASTSVOMA-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.99
Rot. Bonds7

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

N'-cyclopropyl-N-(2-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine (PubChem CID 55142006) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N'-cyclopropyl-N-(2-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-(2-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine
PubChem CID55142006
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN'-cyclopropyl-N-(2-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine
SMILESCCS(=O)(=O)c1ccccc1NCCN(C)C1CC1
InChIInChI=1S/C14H22N2O2S/c1-3-19(17,18)14-7-5-4-6-13(14)15-10-11-16(2)12-8-9-12/h4-7,12,15H,3,8-11H2,1-2H3
InChIKeyZUVHOEASTSVOMA-UHFFFAOYSA-N
XLogP1.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromophenyl)-N'-cyclopropyl-N'-methylethane-1,2-diamine
CID 62575788
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CID 62975524
N'-cyclopropyl-N-(4-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine
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N-(3,3-dimethylbutyl)-2-ethylsulfonylaniline
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N'-cyclopentyl-N-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 55085570
2-ethylsulfonyl-N-[(2-methylcyclopentyl)methyl]aniline
CID 107419404
cis-(1S,3R)-3-N-(2-ethylsulfonylphenyl)-1-N,1-N-dimethylcyclohexane-1,3-diamine
CID 99858148
2-ethylsulfonyl-N-(2-piperidin-4-yloxyethyl)aniline
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2-ethylsulfonyl-N-(4-methylpentyl)aniline
CID 54913636

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-(2-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N-(2-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine (CID 55142006) is N'-cyclopropyl-N-(2-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N-(2-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N-(2-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine is CCS(=O)(=O)c1ccccc1NCCN(C)C1CC1.
What is the InChIKey of N'-cyclopropyl-N-(2-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine?
The InChIKey is ZUVHOEASTSVOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-19(17,18)14-7-5-4-6-13(14)15-10-11-16(2)12-8-9-12/h4-7,12,15H,3,8-11H2,1-2H3.
What are the key properties of N'-cyclopropyl-N-(2-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine?
N'-cyclopropyl-N-(2-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine has a molecular weight of 282.41 g/mol, XLogP of 1.99, 7 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)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 55142006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).