3-methylsulfanyl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)butan-1-amine

C17H24N2S2 — CID 46986201

IUPAC3-methylsulfanyl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)butan-1-amine
SMILESCSC(C)CCN(Cc1ccccn1)Cc1sccc1C
InChIInChI=1S/C17H24N2S2/c1-14-8-11-21-17(14)13-19(10-7-15(2)20-3)12-16-6-4-5-9-18-16/h4-6,8-9,11,15H,7,10,12-13H2,1-3H3
InChIKeyFCFZAVOXXWLUNX-UHFFFAOYSA-N
MW320.53 g/mol
LogP4.60
Rot. Bonds8

About 3-methylsulfanyl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)butan-1-amine

3-methylsulfanyl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)butan-1-amine (PubChem CID 46986201) has the molecular formula C17H24N2S2 and a molecular weight of 320.53 g/mol. Its IUPAC name is 3-methylsulfanyl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name3-methylsulfanyl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)butan-1-amine
PubChem CID46986201
Molecular FormulaC17H24N2S2
Molecular Weight320.53 g/mol
Exact Mass320.14
IUPAC Name3-methylsulfanyl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)butan-1-amine
SMILESCSC(C)CCN(Cc1ccccn1)Cc1sccc1C
InChIInChI=1S/C17H24N2S2/c1-14-8-11-21-17(14)13-19(10-7-15(2)20-3)12-16-6-4-5-9-18-16/h4-6,8-9,11,15H,7,10,12-13H2,1-3H3
InChIKeyFCFZAVOXXWLUNX-UHFFFAOYSA-N
XLogP4.60
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.53
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)butan-1-amine?
The IUPAC name of 3-methylsulfanyl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)butan-1-amine (CID 46986201) is 3-methylsulfanyl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)butan-1-amine.
What is the SMILES notation for 3-methylsulfanyl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)butan-1-amine?
The canonical SMILES for 3-methylsulfanyl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)butan-1-amine is CSC(C)CCN(Cc1ccccn1)Cc1sccc1C.
What is the InChIKey of 3-methylsulfanyl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)butan-1-amine?
The InChIKey is FCFZAVOXXWLUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2S2/c1-14-8-11-21-17(14)13-19(10-7-15(2)20-3)12-16-6-4-5-9-18-16/h4-6,8-9,11,15H,7,10,12-13H2,1-3H3.
What are the key properties of 3-methylsulfanyl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)butan-1-amine?
3-methylsulfanyl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)butan-1-amine has a molecular weight of 320.53 g/mol, XLogP of 4.60, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-[(3-methylthiophen-2-yl)methyl]-N-(pyridin-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 46986201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).