1-butyl-N-(thian-4-yl)piperidin-4-amine

C14H28N2S — CID 43748415

IUPAC1-butyl-N-(thian-4-yl)piperidin-4-amine
SMILESCCCCN1CCC(NC2CCSCC2)CC1
InChIInChI=1S/C14H28N2S/c1-2-3-8-16-9-4-13(5-10-16)15-14-6-11-17-12-7-14/h13-15H,2-12H2,1H3
InChIKeyGXWPKWXBJAYTJG-UHFFFAOYSA-N
MW256.46 g/mol
LogP2.74
Rot. Bonds5

About 1-butyl-N-(thian-4-yl)piperidin-4-amine

1-butyl-N-(thian-4-yl)piperidin-4-amine (PubChem CID 43748415) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is 1-butyl-N-(thian-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-butyl-N-(thian-4-yl)piperidin-4-amine
PubChem CID43748415
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC Name1-butyl-N-(thian-4-yl)piperidin-4-amine
SMILESCCCCN1CCC(NC2CCSCC2)CC1
InChIInChI=1S/C14H28N2S/c1-2-3-8-16-9-4-13(5-10-16)15-14-6-11-17-12-7-14/h13-15H,2-12H2,1H3
InChIKeyGXWPKWXBJAYTJG-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(thian-4-yl)piperidin-4-amine?
The IUPAC name of 1-butyl-N-(thian-4-yl)piperidin-4-amine (CID 43748415) is 1-butyl-N-(thian-4-yl)piperidin-4-amine.
What is the SMILES notation for 1-butyl-N-(thian-4-yl)piperidin-4-amine?
The canonical SMILES for 1-butyl-N-(thian-4-yl)piperidin-4-amine is CCCCN1CCC(NC2CCSCC2)CC1.
What is the InChIKey of 1-butyl-N-(thian-4-yl)piperidin-4-amine?
The InChIKey is GXWPKWXBJAYTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-2-3-8-16-9-4-13(5-10-16)15-14-6-11-17-12-7-14/h13-15H,2-12H2,1H3.
What are the key properties of 1-butyl-N-(thian-4-yl)piperidin-4-amine?
1-butyl-N-(thian-4-yl)piperidin-4-amine has a molecular weight of 256.46 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(thian-4-yl)piperidin-4-amine is sourced from PubChem (CID 43748415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).