2,2,6,6-tetramethyl-N-(thian-3-yl)piperidin-4-amine

C14H28N2S — CID 55130057

IUPAC2,2,6,6-tetramethyl-N-(thian-3-yl)piperidin-4-amine
SMILESCC1(C)CC(NC2CCCSC2)CC(C)(C)N1
InChIInChI=1S/C14H28N2S/c1-13(2)8-12(9-14(3,4)16-13)15-11-6-5-7-17-10-11/h11-12,15-16H,5-10H2,1-4H3
InChIKeyAGDHRQJNVNRHQV-UHFFFAOYSA-N
MW256.46 g/mol
LogP2.78
Rot. Bonds2

About 2,2,6,6-tetramethyl-N-(thian-3-yl)piperidin-4-amine

2,2,6,6-tetramethyl-N-(thian-3-yl)piperidin-4-amine (PubChem CID 55130057) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-N-(thian-3-yl)piperidin-4-amine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-N-(thian-3-yl)piperidin-4-amine
PubChem CID55130057
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC Name2,2,6,6-tetramethyl-N-(thian-3-yl)piperidin-4-amine
SMILESCC1(C)CC(NC2CCCSC2)CC(C)(C)N1
InChIInChI=1S/C14H28N2S/c1-13(2)8-12(9-14(3,4)16-13)15-11-6-5-7-17-10-11/h11-12,15-16H,5-10H2,1-4H3
InChIKeyAGDHRQJNVNRHQV-UHFFFAOYSA-N
XLogP2.78
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-N-(thian-3-yl)piperidin-4-amine?
The IUPAC name of 2,2,6,6-tetramethyl-N-(thian-3-yl)piperidin-4-amine (CID 55130057) is 2,2,6,6-tetramethyl-N-(thian-3-yl)piperidin-4-amine.
What is the SMILES notation for 2,2,6,6-tetramethyl-N-(thian-3-yl)piperidin-4-amine?
The canonical SMILES for 2,2,6,6-tetramethyl-N-(thian-3-yl)piperidin-4-amine is CC1(C)CC(NC2CCCSC2)CC(C)(C)N1.
What is the InChIKey of 2,2,6,6-tetramethyl-N-(thian-3-yl)piperidin-4-amine?
The InChIKey is AGDHRQJNVNRHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-13(2)8-12(9-14(3,4)16-13)15-11-6-5-7-17-10-11/h11-12,15-16H,5-10H2,1-4H3.
What are the key properties of 2,2,6,6-tetramethyl-N-(thian-3-yl)piperidin-4-amine?
2,2,6,6-tetramethyl-N-(thian-3-yl)piperidin-4-amine has a molecular weight of 256.46 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-N-(thian-3-yl)piperidin-4-amine is sourced from PubChem (CID 55130057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).