N'-[2-(2,5-dichlorophenyl)sulfanylethyl]-N'-methylethane-1,2-diamine

C11H16Cl2N2S — CID 62685895

IUPACN'-[2-(2,5-dichlorophenyl)sulfanylethyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)CCSc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H16Cl2N2S/c1-15(5-4-14)6-7-16-11-8-9(12)2-3-10(11)13/h2-3,8H,4-7,14H2,1H3
InChIKeyQLPSOXNNHAPHLV-UHFFFAOYSA-N
MW279.24 g/mol
LogP2.98
Rot. Bonds6

About N'-[2-(2,5-dichlorophenyl)sulfanylethyl]-N'-methylethane-1,2-diamine

N'-[2-(2,5-dichlorophenyl)sulfanylethyl]-N'-methylethane-1,2-diamine (PubChem CID 62685895) has the molecular formula C11H16Cl2N2S and a molecular weight of 279.24 g/mol. Its IUPAC name is N'-[2-(2,5-dichlorophenyl)sulfanylethyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(2,5-dichlorophenyl)sulfanylethyl]-N'-methylethane-1,2-diamine
PubChem CID62685895
Molecular FormulaC11H16Cl2N2S
Molecular Weight279.24 g/mol
Exact Mass278.04
IUPAC NameN'-[2-(2,5-dichlorophenyl)sulfanylethyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)CCSc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H16Cl2N2S/c1-15(5-4-14)6-7-16-11-8-9(12)2-3-10(11)13/h2-3,8H,4-7,14H2,1H3
InChIKeyQLPSOXNNHAPHLV-UHFFFAOYSA-N
XLogP2.98
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,5-dichlorophenyl)sulfanylethyl]-N-methyl-2-piperazin-1-ylethanamine
CID 63266412
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CID 9124097
N-[2-(2,5-dichlorophenyl)sulfanylethyl]-N-methylpyrrolidin-3-amine
CID 63301823
1-[2-(2,5-dichlorophenyl)sulfanylethylsulfanyl]propan-2-amine
CID 66218948
(2R)-1-(2,5-dichlorophenyl)sulfanylpropan-2-amine
CID 104889169
2-[2-(2,5-dichlorophenyl)sulfanylethyl-(2-methoxyethyl)amino]ethanol
CID 115613609
3-[2-(2,5-dichlorophenyl)sulfanylethyl-propan-2-ylamino]propanoic acid
CID 60833765
3-[2-aminoethyl(methyl)amino]-N-(2,5-dichlorophenyl)propanamide
CID 55103947
6-(2,5-dichlorophenyl)sulfanylhexan-3-amine
CID 106808220
3-(2,5-dichlorophenyl)sulfanyl-N-ethylpropan-1-amine
CID 61386021
N-[2-(2,5-dichlorophenyl)sulfanylethyl]-3-methylbutan-2-amine
CID 55026719
N'-[2-(2,4-dichlorophenoxy)ethyl]-N'-methylethane-1,2-diamine
CID 62688620

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,5-dichlorophenyl)sulfanylethyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[2-(2,5-dichlorophenyl)sulfanylethyl]-N'-methylethane-1,2-diamine (CID 62685895) is N'-[2-(2,5-dichlorophenyl)sulfanylethyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[2-(2,5-dichlorophenyl)sulfanylethyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[2-(2,5-dichlorophenyl)sulfanylethyl]-N'-methylethane-1,2-diamine is CN(CCN)CCSc1cc(Cl)ccc1Cl.
What is the InChIKey of N'-[2-(2,5-dichlorophenyl)sulfanylethyl]-N'-methylethane-1,2-diamine?
The InChIKey is QLPSOXNNHAPHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2S/c1-15(5-4-14)6-7-16-11-8-9(12)2-3-10(11)13/h2-3,8H,4-7,14H2,1H3.
What are the key properties of N'-[2-(2,5-dichlorophenyl)sulfanylethyl]-N'-methylethane-1,2-diamine?
N'-[2-(2,5-dichlorophenyl)sulfanylethyl]-N'-methylethane-1,2-diamine has a molecular weight of 279.24 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,5-dichlorophenyl)sulfanylethyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62685895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).