N-(5,5-dimethylthian-3-yl)-6-piperidin-1-ylpyridin-3-amine

C17H27N3S — CID 79953496

IUPACN-(5,5-dimethylthian-3-yl)-6-piperidin-1-ylpyridin-3-amine
SMILESCC1(C)CSCC(Nc2ccc(N3CCCCC3)nc2)C1
InChIInChI=1S/C17H27N3S/c1-17(2)10-15(12-21-13-17)19-14-6-7-16(18-11-14)20-8-4-3-5-9-20/h6-7,11,15,19H,3-5,8-10,12-13H2,1-2H3
InChIKeyROEZXHFFDNPZJF-UHFFFAOYSA-N
MW305.49 g/mol
LogP4.02
Rot. Bonds3

About N-(5,5-dimethylthian-3-yl)-6-piperidin-1-ylpyridin-3-amine

N-(5,5-dimethylthian-3-yl)-6-piperidin-1-ylpyridin-3-amine (PubChem CID 79953496) has the molecular formula C17H27N3S and a molecular weight of 305.49 g/mol. Its IUPAC name is N-(5,5-dimethylthian-3-yl)-6-piperidin-1-ylpyridin-3-amine.

Molecular Properties

Compound NameN-(5,5-dimethylthian-3-yl)-6-piperidin-1-ylpyridin-3-amine
PubChem CID79953496
Molecular FormulaC17H27N3S
Molecular Weight305.49 g/mol
Exact Mass305.19
IUPAC NameN-(5,5-dimethylthian-3-yl)-6-piperidin-1-ylpyridin-3-amine
SMILESCC1(C)CSCC(Nc2ccc(N3CCCCC3)nc2)C1
InChIInChI=1S/C17H27N3S/c1-17(2)10-15(12-21-13-17)19-14-6-7-16(18-11-14)20-8-4-3-5-9-20/h6-7,11,15,19H,3-5,8-10,12-13H2,1-2H3
InChIKeyROEZXHFFDNPZJF-UHFFFAOYSA-N
XLogP4.02
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.49
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethylthian-3-yl)-6-piperidin-1-ylpyridin-3-amine?
The IUPAC name of N-(5,5-dimethylthian-3-yl)-6-piperidin-1-ylpyridin-3-amine (CID 79953496) is N-(5,5-dimethylthian-3-yl)-6-piperidin-1-ylpyridin-3-amine.
What is the SMILES notation for N-(5,5-dimethylthian-3-yl)-6-piperidin-1-ylpyridin-3-amine?
The canonical SMILES for N-(5,5-dimethylthian-3-yl)-6-piperidin-1-ylpyridin-3-amine is CC1(C)CSCC(Nc2ccc(N3CCCCC3)nc2)C1.
What is the InChIKey of N-(5,5-dimethylthian-3-yl)-6-piperidin-1-ylpyridin-3-amine?
The InChIKey is ROEZXHFFDNPZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3S/c1-17(2)10-15(12-21-13-17)19-14-6-7-16(18-11-14)20-8-4-3-5-9-20/h6-7,11,15,19H,3-5,8-10,12-13H2,1-2H3.
What are the key properties of N-(5,5-dimethylthian-3-yl)-6-piperidin-1-ylpyridin-3-amine?
N-(5,5-dimethylthian-3-yl)-6-piperidin-1-ylpyridin-3-amine has a molecular weight of 305.49 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethylthian-3-yl)-6-piperidin-1-ylpyridin-3-amine is sourced from PubChem (CID 79953496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).