[(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine

C11H19N3S — CID 98085621

IUPAC[(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine
SMILESC[C@H](c1nccs1)N1CCC[C@@H](CN)C1
InChIInChI=1S/C11H19N3S/c1-9(11-13-4-6-15-11)14-5-2-3-10(7-12)8-14/h4,6,9-10H,2-3,5,7-8,12H2,1H3/t9-,10+/m1/s1
InChIKeyVNCJIMQMOZVXLJ-ZJUUUORDSA-N
MW225.36 g/mol
LogP1.87
Rot. Bonds3

About [(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine

[(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine (PubChem CID 98085621) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is [(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine
PubChem CID98085621
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name[(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine
SMILESC[C@H](c1nccs1)N1CCC[C@@H](CN)C1
InChIInChI=1S/C11H19N3S/c1-9(11-13-4-6-15-11)14-5-2-3-10(7-12)8-14/h4,6,9-10H,2-3,5,7-8,12H2,1H3/t9-,10+/m1/s1
InChIKeyVNCJIMQMOZVXLJ-ZJUUUORDSA-N
XLogP1.87
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine?
The IUPAC name of [(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine (CID 98085621) is [(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine.
What is the SMILES notation for [(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine?
The canonical SMILES for [(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine is C[C@H](c1nccs1)N1CCC[C@@H](CN)C1.
What is the InChIKey of [(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine?
The InChIKey is VNCJIMQMOZVXLJ-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H19N3S/c1-9(11-13-4-6-15-11)14-5-2-3-10(7-12)8-14/h4,6,9-10H,2-3,5,7-8,12H2,1H3/t9-,10+/m1/s1.
What are the key properties of [(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine?
[(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine has a molecular weight of 225.36 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]piperidin-3-yl]methanamine is sourced from PubChem (CID 98085621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).