N'-cyclopropyl-N-(4-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine

C14H22N2O2S — CID 62977988

IUPACN'-cyclopropyl-N-(4-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine
SMILESCCS(=O)(=O)c1ccc(NCCN(C)C2CC2)cc1
InChIInChI=1S/C14H22N2O2S/c1-3-19(17,18)14-8-4-12(5-9-14)15-10-11-16(2)13-6-7-13/h4-5,8-9,13,15H,3,6-7,10-11H2,1-2H3
InChIKeyHDOOCQDXUOPQPE-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.99
Rot. Bonds7

About N'-cyclopropyl-N-(4-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine

N'-cyclopropyl-N-(4-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine (PubChem CID 62977988) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N'-cyclopropyl-N-(4-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-(4-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine
PubChem CID62977988
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN'-cyclopropyl-N-(4-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine
SMILESCCS(=O)(=O)c1ccc(NCCN(C)C2CC2)cc1
InChIInChI=1S/C14H22N2O2S/c1-3-19(17,18)14-8-4-12(5-9-14)15-10-11-16(2)13-6-7-13/h4-5,8-9,13,15H,3,6-7,10-11H2,1-2H3
InChIKeyHDOOCQDXUOPQPE-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'-cyclopropyl-N'-methyl-N-(4-methylsulfonylphenyl)ethane-1,2-diamine
CID 62980103
N'-ethyl-N-(4-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine
CID 62642355
N'-cyclopropyl-N-(2-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine
CID 55142006
N'-(4-ethylcyclohexyl)-N-(4-fluorophenyl)-N'-methylethane-1,2-diamine
CID 63504348
4-ethylsulfonyl-N-pentylaniline
CID 43453358
N-(3-chloropropyl)-4-ethylsulfonylaniline
CID 65029662
N-cyclopropyl-N-(2-hydroxyethyl)-4-(propylamino)benzenesulfonamide
CID 62151572
N-[2-[cyclopropyl(methyl)amino]ethyl]-4-methylbenzenesulfonamide
CID 47813755
2-N-cyclopropyl-1-N-[4-(difluoromethylsulfonyl)phenyl]-2-N-methylpropane-1,2-diamine
CID 103894507
4-ethylsulfonyl-N-(2,2,2-trifluoroethyl)aniline
CID 43453365
6-(4-ethylsulfonylanilino)hexan-1-ol
CID 103867994
N-(2-cyclopropylpropan-2-yl)-4-ethylsulfonylaniline
CID 114111360

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-(4-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N-(4-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine (CID 62977988) is N'-cyclopropyl-N-(4-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N-(4-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N-(4-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine is CCS(=O)(=O)c1ccc(NCCN(C)C2CC2)cc1.
What is the InChIKey of N'-cyclopropyl-N-(4-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine?
The InChIKey is HDOOCQDXUOPQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-19(17,18)14-8-4-12(5-9-14)15-10-11-16(2)13-6-7-13/h4-5,8-9,13,15H,3,6-7,10-11H2,1-2H3.
What are the key properties of N'-cyclopropyl-N-(4-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine?
N'-cyclopropyl-N-(4-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-(4-ethylsulfonylphenyl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62977988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).