4-[(4-propan-2-ylphenyl)methylsulfanyl]pyridin-3-amine

C15H18N2S — CID 43300028

IUPAC4-[(4-propan-2-ylphenyl)methylsulfanyl]pyridin-3-amine
SMILESCC(C)c1ccc(CSc2ccncc2N)cc1
InChIInChI=1S/C15H18N2S/c1-11(2)13-5-3-12(4-6-13)10-18-15-7-8-17-9-14(15)16/h3-9,11H,10,16H2,1-2H3
InChIKeyLUQYBHHMCSDGNR-UHFFFAOYSA-N
MW258.39 g/mol
LogP4.08
Rot. Bonds4

About 4-[(4-propan-2-ylphenyl)methylsulfanyl]pyridin-3-amine

4-[(4-propan-2-ylphenyl)methylsulfanyl]pyridin-3-amine (PubChem CID 43300028) has the molecular formula C15H18N2S and a molecular weight of 258.39 g/mol. Its IUPAC name is 4-[(4-propan-2-ylphenyl)methylsulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name4-[(4-propan-2-ylphenyl)methylsulfanyl]pyridin-3-amine
PubChem CID43300028
Molecular FormulaC15H18N2S
Molecular Weight258.39 g/mol
Exact Mass258.12
IUPAC Name4-[(4-propan-2-ylphenyl)methylsulfanyl]pyridin-3-amine
SMILESCC(C)c1ccc(CSc2ccncc2N)cc1
InChIInChI=1S/C15H18N2S/c1-11(2)13-5-3-12(4-6-13)10-18-15-7-8-17-9-14(15)16/h3-9,11H,10,16H2,1-2H3
InChIKeyLUQYBHHMCSDGNR-UHFFFAOYSA-N
XLogP4.08
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.39
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-propan-2-ylphenyl)methylsulfanyl]pyridin-3-amine?
The IUPAC name of 4-[(4-propan-2-ylphenyl)methylsulfanyl]pyridin-3-amine (CID 43300028) is 4-[(4-propan-2-ylphenyl)methylsulfanyl]pyridin-3-amine.
What is the SMILES notation for 4-[(4-propan-2-ylphenyl)methylsulfanyl]pyridin-3-amine?
The canonical SMILES for 4-[(4-propan-2-ylphenyl)methylsulfanyl]pyridin-3-amine is CC(C)c1ccc(CSc2ccncc2N)cc1.
What is the InChIKey of 4-[(4-propan-2-ylphenyl)methylsulfanyl]pyridin-3-amine?
The InChIKey is LUQYBHHMCSDGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2S/c1-11(2)13-5-3-12(4-6-13)10-18-15-7-8-17-9-14(15)16/h3-9,11H,10,16H2,1-2H3.
What are the key properties of 4-[(4-propan-2-ylphenyl)methylsulfanyl]pyridin-3-amine?
4-[(4-propan-2-ylphenyl)methylsulfanyl]pyridin-3-amine has a molecular weight of 258.39 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-propan-2-ylphenyl)methylsulfanyl]pyridin-3-amine is sourced from PubChem (CID 43300028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).