1-butyl-N-(5,5-dimethylthian-3-yl)piperidin-4-amine

C16H32N2S — CID 79958793

IUPAC1-butyl-N-(5,5-dimethylthian-3-yl)piperidin-4-amine
SMILESCCCCN1CCC(NC2CSCC(C)(C)C2)CC1
InChIInChI=1S/C16H32N2S/c1-4-5-8-18-9-6-14(7-10-18)17-15-11-16(2,3)13-19-12-15/h14-15,17H,4-13H2,1-3H3
InChIKeyFIGLLCBYNUWXKR-UHFFFAOYSA-N
MW284.51 g/mol
LogP3.37
Rot. Bonds5

About 1-butyl-N-(5,5-dimethylthian-3-yl)piperidin-4-amine

1-butyl-N-(5,5-dimethylthian-3-yl)piperidin-4-amine (PubChem CID 79958793) has the molecular formula C16H32N2S and a molecular weight of 284.51 g/mol. Its IUPAC name is 1-butyl-N-(5,5-dimethylthian-3-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-butyl-N-(5,5-dimethylthian-3-yl)piperidin-4-amine
PubChem CID79958793
Molecular FormulaC16H32N2S
Molecular Weight284.51 g/mol
Exact Mass284.23
IUPAC Name1-butyl-N-(5,5-dimethylthian-3-yl)piperidin-4-amine
SMILESCCCCN1CCC(NC2CSCC(C)(C)C2)CC1
InChIInChI=1S/C16H32N2S/c1-4-5-8-18-9-6-14(7-10-18)17-15-11-16(2,3)13-19-12-15/h14-15,17H,4-13H2,1-3H3
InChIKeyFIGLLCBYNUWXKR-UHFFFAOYSA-N
XLogP3.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.51
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(5,5-dimethylthian-3-yl)piperidin-4-amine?
The IUPAC name of 1-butyl-N-(5,5-dimethylthian-3-yl)piperidin-4-amine (CID 79958793) is 1-butyl-N-(5,5-dimethylthian-3-yl)piperidin-4-amine.
What is the SMILES notation for 1-butyl-N-(5,5-dimethylthian-3-yl)piperidin-4-amine?
The canonical SMILES for 1-butyl-N-(5,5-dimethylthian-3-yl)piperidin-4-amine is CCCCN1CCC(NC2CSCC(C)(C)C2)CC1.
What is the InChIKey of 1-butyl-N-(5,5-dimethylthian-3-yl)piperidin-4-amine?
The InChIKey is FIGLLCBYNUWXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2S/c1-4-5-8-18-9-6-14(7-10-18)17-15-11-16(2,3)13-19-12-15/h14-15,17H,4-13H2,1-3H3.
What are the key properties of 1-butyl-N-(5,5-dimethylthian-3-yl)piperidin-4-amine?
1-butyl-N-(5,5-dimethylthian-3-yl)piperidin-4-amine has a molecular weight of 284.51 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(5,5-dimethylthian-3-yl)piperidin-4-amine is sourced from PubChem (CID 79958793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).