2,6-dichloro-1-N-(1-methylsulfinylpropan-2-yl)benzene-1,4-diamine

C10H14Cl2N2OS — CID 106890795

IUPAC2,6-dichloro-1-N-(1-methylsulfinylpropan-2-yl)benzene-1,4-diamine
SMILESCC(CS(C)=O)Nc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C10H14Cl2N2OS/c1-6(5-16(2)15)14-10-8(11)3-7(13)4-9(10)12/h3-4,6,14H,5,13H2,1-2H3
InChIKeyMPOHCZGZBWTZMG-UHFFFAOYSA-N
MW281.21 g/mol
LogP2.75
Rot. Bonds4

About 2,6-dichloro-1-N-(1-methylsulfinylpropan-2-yl)benzene-1,4-diamine

2,6-dichloro-1-N-(1-methylsulfinylpropan-2-yl)benzene-1,4-diamine (PubChem CID 106890795) has the molecular formula C10H14Cl2N2OS and a molecular weight of 281.21 g/mol. Its IUPAC name is 2,6-dichloro-1-N-(1-methylsulfinylpropan-2-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name2,6-dichloro-1-N-(1-methylsulfinylpropan-2-yl)benzene-1,4-diamine
PubChem CID106890795
Molecular FormulaC10H14Cl2N2OS
Molecular Weight281.21 g/mol
Exact Mass280.02
IUPAC Name2,6-dichloro-1-N-(1-methylsulfinylpropan-2-yl)benzene-1,4-diamine
SMILESCC(CS(C)=O)Nc1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C10H14Cl2N2OS/c1-6(5-16(2)15)14-10-8(11)3-7(13)4-9(10)12/h3-4,6,14H,5,13H2,1-2H3
InChIKeyMPOHCZGZBWTZMG-UHFFFAOYSA-N
XLogP2.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.21
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 2973444
N-(2-chloro-4-nitrophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 45843325
N-(2-chlorophenyl)-1,1-dioxo-2,3-dihydrothiophen-3-amine
CID 4749657
2,6-dichloro-1-N-propan-2-ylbenzene-1,4-diamine
CID 54079634
(2,6-Dichloro-4-dimethylaminophenyl)-isopropylamine
CID 54350999
2-chloro-4-fluoro-N-(3-methylsulfanylpropyl)aniline
CID 43150416
2-chloro-N-(2-ethylsulfonylethyl)-4-fluoroaniline
CID 43807712
2-chloro-4-fluoro-N-(2-methylsulfonylethyl)aniline
CID 60721569
N-(5-chloro-2-fluorophenyl)-1-oxothian-4-amine
CID 61565344
N-(3-chloro-4-fluorophenyl)-1-oxothian-4-amine
CID 61565461
N-(3-chloro-2-fluorophenyl)-1-oxothian-4-amine
CID 61565522
N-(2-chloro-4-fluorophenyl)-1-oxothian-4-amine
CID 61565594

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-1-N-(1-methylsulfinylpropan-2-yl)benzene-1,4-diamine?
The IUPAC name of 2,6-dichloro-1-N-(1-methylsulfinylpropan-2-yl)benzene-1,4-diamine (CID 106890795) is 2,6-dichloro-1-N-(1-methylsulfinylpropan-2-yl)benzene-1,4-diamine.
What is the SMILES notation for 2,6-dichloro-1-N-(1-methylsulfinylpropan-2-yl)benzene-1,4-diamine?
The canonical SMILES for 2,6-dichloro-1-N-(1-methylsulfinylpropan-2-yl)benzene-1,4-diamine is CC(CS(C)=O)Nc1c(Cl)cc(N)cc1Cl.
What is the InChIKey of 2,6-dichloro-1-N-(1-methylsulfinylpropan-2-yl)benzene-1,4-diamine?
The InChIKey is MPOHCZGZBWTZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N2OS/c1-6(5-16(2)15)14-10-8(11)3-7(13)4-9(10)12/h3-4,6,14H,5,13H2,1-2H3.
What are the key properties of 2,6-dichloro-1-N-(1-methylsulfinylpropan-2-yl)benzene-1,4-diamine?
2,6-dichloro-1-N-(1-methylsulfinylpropan-2-yl)benzene-1,4-diamine has a molecular weight of 281.21 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-1-N-(1-methylsulfinylpropan-2-yl)benzene-1,4-diamine is sourced from PubChem (CID 106890795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).