3,5-dichloro-6-propan-2-ylsulfanyl-N-propylpyridin-2-amine

C11H16Cl2N2S — CID 102761403

IUPAC3,5-dichloro-6-propan-2-ylsulfanyl-N-propylpyridin-2-amine
SMILESCCCNc1nc(SC(C)C)c(Cl)cc1Cl
InChIInChI=1S/C11H16Cl2N2S/c1-4-5-14-10-8(12)6-9(13)11(15-10)16-7(2)3/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeyNMLCDWVCIAEHEY-UHFFFAOYSA-N
MW279.24 g/mol
LogP4.71
Rot. Bonds5

About 3,5-dichloro-6-propan-2-ylsulfanyl-N-propylpyridin-2-amine

3,5-dichloro-6-propan-2-ylsulfanyl-N-propylpyridin-2-amine (PubChem CID 102761403) has the molecular formula C11H16Cl2N2S and a molecular weight of 279.24 g/mol. Its IUPAC name is 3,5-dichloro-6-propan-2-ylsulfanyl-N-propylpyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-6-propan-2-ylsulfanyl-N-propylpyridin-2-amine
PubChem CID102761403
Molecular FormulaC11H16Cl2N2S
Molecular Weight279.24 g/mol
Exact Mass278.04
IUPAC Name3,5-dichloro-6-propan-2-ylsulfanyl-N-propylpyridin-2-amine
SMILESCCCNc1nc(SC(C)C)c(Cl)cc1Cl
InChIInChI=1S/C11H16Cl2N2S/c1-4-5-14-10-8(12)6-9(13)11(15-10)16-7(2)3/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeyNMLCDWVCIAEHEY-UHFFFAOYSA-N
XLogP4.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5,6-Trichloro-2-propylamino-4-trifluoromethylthiopyridine
CID 14965128
2-Ethylthio-6-ethylaminopyridine
CID 80888584
(Methylamino)-3,5-dichloro-6-methylsulfonylpyridine
CID 129789134
5-chloro-N-ethyl-6-[(2-fluorophenyl)sulfanylmethyl]pyridin-2-amine
CID 62886530
5-chloro-N-ethyl-6-[(4-fluorophenyl)sulfanylmethyl]pyridin-2-amine
CID 62887070
5-chloro-6-[(4-fluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 63485873
5-chloro-6-[(2-fluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 63486222
5-chloro-3-fluoro-N-(2-methylsulfanylethyl)pyridin-2-amine
CID 79728558
5-chloro-3-fluoro-N-(3-methylsulfanylpropyl)pyridin-2-amine
CID 79728662
5-chloro-6-[(3-fluorophenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 80065522
5-chloro-N-ethyl-6-[(3-fluorophenyl)sulfanylmethyl]pyridin-2-amine
CID 80065791
3,5-dichloro-2-N-ethyl-6-N-(2,2,2-trifluoroethyl)pyridine-2,6-diamine
CID 102755654

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-propan-2-ylsulfanyl-N-propylpyridin-2-amine?
The IUPAC name of 3,5-dichloro-6-propan-2-ylsulfanyl-N-propylpyridin-2-amine (CID 102761403) is 3,5-dichloro-6-propan-2-ylsulfanyl-N-propylpyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-6-propan-2-ylsulfanyl-N-propylpyridin-2-amine?
The canonical SMILES for 3,5-dichloro-6-propan-2-ylsulfanyl-N-propylpyridin-2-amine is CCCNc1nc(SC(C)C)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-propan-2-ylsulfanyl-N-propylpyridin-2-amine?
The InChIKey is NMLCDWVCIAEHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Cl2N2S/c1-4-5-14-10-8(12)6-9(13)11(15-10)16-7(2)3/h6-7H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 3,5-dichloro-6-propan-2-ylsulfanyl-N-propylpyridin-2-amine?
3,5-dichloro-6-propan-2-ylsulfanyl-N-propylpyridin-2-amine has a molecular weight of 279.24 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-propan-2-ylsulfanyl-N-propylpyridin-2-amine is sourced from PubChem (CID 102761403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).