6-[(4-methoxyphenyl)sulfanylmethyl]-N-propylpyridin-2-amine

C16H20N2OS — CID 79239390

IUPAC6-[(4-methoxyphenyl)sulfanylmethyl]-N-propylpyridin-2-amine
SMILESCCCNc1cccc(CSc2ccc(OC)cc2)n1
InChIInChI=1S/C16H20N2OS/c1-3-11-17-16-6-4-5-13(18-16)12-20-15-9-7-14(19-2)8-10-15/h4-10H,3,11-12H2,1-2H3,(H,17,18)
InChIKeySBCARNQHQCDJBL-UHFFFAOYSA-N
MW288.42 g/mol
LogP4.20
Rot. Bonds7

About 6-[(4-methoxyphenyl)sulfanylmethyl]-N-propylpyridin-2-amine

6-[(4-methoxyphenyl)sulfanylmethyl]-N-propylpyridin-2-amine (PubChem CID 79239390) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)sulfanylmethyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)sulfanylmethyl]-N-propylpyridin-2-amine
PubChem CID79239390
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name6-[(4-methoxyphenyl)sulfanylmethyl]-N-propylpyridin-2-amine
SMILESCCCNc1cccc(CSc2ccc(OC)cc2)n1
InChIInChI=1S/C16H20N2OS/c1-3-11-17-16-6-4-5-13(18-16)12-20-15-9-7-14(19-2)8-10-15/h4-10H,3,11-12H2,1-2H3,(H,17,18)
InChIKeySBCARNQHQCDJBL-UHFFFAOYSA-N
XLogP4.20
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-propan-2-ylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 79233414
5-[(4-methoxyphenyl)sulfanylmethyl]-N-propylpyrazin-2-amine
CID 103059724
6-[(2-methoxyphenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 79238892
3-[[6-(propylamino)-2-pyridinyl]methylsulfanyl]propane-1,2-diol
CID 79671978
6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 79239053
6-[(4-methoxyphenyl)sulfanylmethyl]pyridine-2-carboxylic acid
CID 106903462
6-[(4-chlorophenyl)sulfanylmethyl]-N-methylpyridin-2-amine
CID 79239984
6-[2-(2-methoxyethoxy)ethoxymethyl]-N-propylpyridin-2-amine
CID 104565921
N-methyl-6-[(4-propan-2-ylphenyl)sulfanylmethyl]pyridin-2-amine
CID 79239474
6-(pentoxymethyl)-N-propylpyridin-2-amine
CID 79238780
6-(1-methoxypropan-2-yloxymethyl)-N-propylpyridin-2-amine
CID 79239046
5-methoxy-N-propylpyridin-2-amine
CID 106503925

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)sulfanylmethyl]-N-propylpyridin-2-amine?
The IUPAC name of 6-[(4-methoxyphenyl)sulfanylmethyl]-N-propylpyridin-2-amine (CID 79239390) is 6-[(4-methoxyphenyl)sulfanylmethyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 6-[(4-methoxyphenyl)sulfanylmethyl]-N-propylpyridin-2-amine?
The canonical SMILES for 6-[(4-methoxyphenyl)sulfanylmethyl]-N-propylpyridin-2-amine is CCCNc1cccc(CSc2ccc(OC)cc2)n1.
What is the InChIKey of 6-[(4-methoxyphenyl)sulfanylmethyl]-N-propylpyridin-2-amine?
The InChIKey is SBCARNQHQCDJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-3-11-17-16-6-4-5-13(18-16)12-20-15-9-7-14(19-2)8-10-15/h4-10H,3,11-12H2,1-2H3,(H,17,18).
What are the key properties of 6-[(4-methoxyphenyl)sulfanylmethyl]-N-propylpyridin-2-amine?
6-[(4-methoxyphenyl)sulfanylmethyl]-N-propylpyridin-2-amine has a molecular weight of 288.42 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenyl)sulfanylmethyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 79239390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).