1-methyl-5-(thian-4-ylamino)piperidin-2-one

C11H20N2OS — CID 64656130

IUPAC1-methyl-5-(thian-4-ylamino)piperidin-2-one
SMILESCN1CC(NC2CCSCC2)CCC1=O
InChIInChI=1S/C11H20N2OS/c1-13-8-10(2-3-11(13)14)12-9-4-6-15-7-5-9/h9-10,12H,2-8H2,1H3
InChIKeyAAZIEGHYXZOLPH-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.09
Rot. Bonds2

About 1-methyl-5-(thian-4-ylamino)piperidin-2-one

1-methyl-5-(thian-4-ylamino)piperidin-2-one (PubChem CID 64656130) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 1-methyl-5-(thian-4-ylamino)piperidin-2-one.

Molecular Properties

Compound Name1-methyl-5-(thian-4-ylamino)piperidin-2-one
PubChem CID64656130
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name1-methyl-5-(thian-4-ylamino)piperidin-2-one
SMILESCN1CC(NC2CCSCC2)CCC1=O
InChIInChI=1S/C11H20N2OS/c1-13-8-10(2-3-11(13)14)12-9-4-6-15-7-5-9/h9-10,12H,2-8H2,1H3
InChIKeyAAZIEGHYXZOLPH-UHFFFAOYSA-N
XLogP1.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(thian-4-ylamino)piperidin-2-one?
The IUPAC name of 1-methyl-5-(thian-4-ylamino)piperidin-2-one (CID 64656130) is 1-methyl-5-(thian-4-ylamino)piperidin-2-one.
What is the SMILES notation for 1-methyl-5-(thian-4-ylamino)piperidin-2-one?
The canonical SMILES for 1-methyl-5-(thian-4-ylamino)piperidin-2-one is CN1CC(NC2CCSCC2)CCC1=O.
What is the InChIKey of 1-methyl-5-(thian-4-ylamino)piperidin-2-one?
The InChIKey is AAZIEGHYXZOLPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-13-8-10(2-3-11(13)14)12-9-4-6-15-7-5-9/h9-10,12H,2-8H2,1H3.
What are the key properties of 1-methyl-5-(thian-4-ylamino)piperidin-2-one?
1-methyl-5-(thian-4-ylamino)piperidin-2-one has a molecular weight of 228.36 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(thian-4-ylamino)piperidin-2-one is sourced from PubChem (CID 64656130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).