4-chloro-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-methylaniline

C14H15ClN2S — CID 112740978

IUPAC4-chloro-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-methylaniline
SMILESCc1cc(C)nc(Sc2c(N)ccc(Cl)c2C)c1
InChIInChI=1S/C14H15ClN2S/c1-8-6-9(2)17-13(7-8)18-14-10(3)11(15)4-5-12(14)16/h4-7H,16H2,1-3H3
InChIKeyMSOXWKPSSUAJJE-UHFFFAOYSA-N
MW278.81 g/mol
LogP4.39
Rot. Bonds2

About 4-chloro-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-methylaniline

4-chloro-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-methylaniline (PubChem CID 112740978) has the molecular formula C14H15ClN2S and a molecular weight of 278.81 g/mol. Its IUPAC name is 4-chloro-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-methylaniline.

Molecular Properties

Compound Name4-chloro-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-methylaniline
PubChem CID112740978
Molecular FormulaC14H15ClN2S
Molecular Weight278.81 g/mol
Exact Mass278.06
IUPAC Name4-chloro-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-methylaniline
SMILESCc1cc(C)nc(Sc2c(N)ccc(Cl)c2C)c1
InChIInChI=1S/C14H15ClN2S/c1-8-6-9(2)17-13(7-8)18-14-10(3)11(15)4-5-12(14)16/h4-7H,16H2,1-3H3
InChIKeyMSOXWKPSSUAJJE-UHFFFAOYSA-N
XLogP4.39
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.81
LogP ≤ 54.39
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

2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]aniline
CID 102924564
5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]isoquinolin-8-amine
CID 102924675
3,5-dichloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N-methylpyridin-2-amine
CID 102926978
6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-(2-methylpropoxy)pyridin-3-amine
CID 102924674
[5-chloro-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]pyrimidin-2-yl]hydrazine
CID 102927134
3-chloro-4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]benzoic acid
CID 102925985
3,6-dichloro-2-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]pyridine
CID 102924527
ethyl 2-amino-5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]benzoate
CID 102925455
4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]quinazolin-2-amine
CID 102927043
4-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3,5-difluorobenzaldehyde
CID 102926059
[2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-methylphenyl]methanamine
CID 107931496
3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-nitroaniline
CID 102926909

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-methylaniline?
The IUPAC name of 4-chloro-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-methylaniline (CID 112740978) is 4-chloro-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-methylaniline.
What is the SMILES notation for 4-chloro-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-methylaniline?
The canonical SMILES for 4-chloro-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-methylaniline is Cc1cc(C)nc(Sc2c(N)ccc(Cl)c2C)c1.
What is the InChIKey of 4-chloro-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-methylaniline?
The InChIKey is MSOXWKPSSUAJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2S/c1-8-6-9(2)17-13(7-8)18-14-10(3)11(15)4-5-12(14)16/h4-7H,16H2,1-3H3.
What are the key properties of 4-chloro-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-methylaniline?
4-chloro-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-methylaniline has a molecular weight of 278.81 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-methylaniline is sourced from PubChem (CID 112740978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).