3,5-dichloro-4-(3-methylthiomorpholin-4-yl)aniline

C11H14Cl2N2S — CID 106890449

IUPAC3,5-dichloro-4-(3-methylthiomorpholin-4-yl)aniline
SMILESCC1CSCCN1c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C11H14Cl2N2S/c1-7-6-16-3-2-15(7)11-9(12)4-8(14)5-10(11)13/h4-5,7H,2-3,6,14H2,1H3
InChIKeyNGIWBUAHBZFVHI-UHFFFAOYSA-N
MW277.22 g/mol
LogP3.52
Rot. Bonds1

About 3,5-dichloro-4-(3-methylthiomorpholin-4-yl)aniline

3,5-dichloro-4-(3-methylthiomorpholin-4-yl)aniline (PubChem CID 106890449) has the molecular formula C11H14Cl2N2S and a molecular weight of 277.22 g/mol. Its IUPAC name is 3,5-dichloro-4-(3-methylthiomorpholin-4-yl)aniline.

Molecular Properties

Compound Name3,5-dichloro-4-(3-methylthiomorpholin-4-yl)aniline
PubChem CID106890449
Molecular FormulaC11H14Cl2N2S
Molecular Weight277.22 g/mol
Exact Mass276.03
IUPAC Name3,5-dichloro-4-(3-methylthiomorpholin-4-yl)aniline
SMILESCC1CSCCN1c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C11H14Cl2N2S/c1-7-6-16-3-2-15(7)11-9(12)4-8(14)5-10(11)13/h4-5,7H,2-3,6,14H2,1H3
InChIKeyNGIWBUAHBZFVHI-UHFFFAOYSA-N
XLogP3.52
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.22
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-4-(2,4-dimethylpiperidin-1-yl)aniline
CID 106890304
3,5-dichloro-6-(3-methylthiomorpholin-4-yl)pyridin-2-amine
CID 102758460
5-chloro-4-(3-methylthiomorpholin-4-yl)pyrimidin-2-amine
CID 80836482
3-ethoxy-5-(3-methylthiomorpholin-4-yl)aniline
CID 80736092
5-amino-3-chloro-2-(3-methylsulfonylthiomorpholin-4-yl)benzamide
CID 107196208
5-(3-methylthiomorpholin-4-yl)pyrazin-2-amine
CID 80652917
3-chloro-5-methoxy-4-[(2S)-2-methylpiperidin-1-yl]aniline
CID 94671621
2-(3-methylthiomorpholin-4-yl)-1,3-benzoxazol-6-amine
CID 79893164
(1R)-1-[2-(3-methylthiomorpholin-4-yl)phenyl]propan-1-amine
CID 113358838
4-[2-(bromomethyl)-5-chlorophenyl]-3-methylthiomorpholine
CID 107083869
5-amino-3-chloro-2-(2-methylpiperidin-1-yl)benzamide
CID 107192408
N-[[5-chloro-2-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114926559

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(3-methylthiomorpholin-4-yl)aniline?
The IUPAC name of 3,5-dichloro-4-(3-methylthiomorpholin-4-yl)aniline (CID 106890449) is 3,5-dichloro-4-(3-methylthiomorpholin-4-yl)aniline.
What is the SMILES notation for 3,5-dichloro-4-(3-methylthiomorpholin-4-yl)aniline?
The canonical SMILES for 3,5-dichloro-4-(3-methylthiomorpholin-4-yl)aniline is CC1CSCCN1c1c(Cl)cc(N)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-(3-methylthiomorpholin-4-yl)aniline?
The InChIKey is NGIWBUAHBZFVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2S/c1-7-6-16-3-2-15(7)11-9(12)4-8(14)5-10(11)13/h4-5,7H,2-3,6,14H2,1H3.
What are the key properties of 3,5-dichloro-4-(3-methylthiomorpholin-4-yl)aniline?
3,5-dichloro-4-(3-methylthiomorpholin-4-yl)aniline has a molecular weight of 277.22 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(3-methylthiomorpholin-4-yl)aniline is sourced from PubChem (CID 106890449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).