[4-methyl-4-(methylamino)piperidin-1-yl]-(thiolan-3-yl)methanone

C12H22N2OS — CID 115304651

IUPAC[4-methyl-4-(methylamino)piperidin-1-yl]-(thiolan-3-yl)methanone
SMILESCNC1(C)CCN(C(=O)C2CCSC2)CC1
InChIInChI=1S/C12H22N2OS/c1-12(13-2)4-6-14(7-5-12)11(15)10-3-8-16-9-10/h10,13H,3-9H2,1-2H3
InChIKeyOERULEWRCFYEFX-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.34
Rot. Bonds2

About [4-methyl-4-(methylamino)piperidin-1-yl]-(thiolan-3-yl)methanone

[4-methyl-4-(methylamino)piperidin-1-yl]-(thiolan-3-yl)methanone (PubChem CID 115304651) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is [4-methyl-4-(methylamino)piperidin-1-yl]-(thiolan-3-yl)methanone.

Molecular Properties

Compound Name[4-methyl-4-(methylamino)piperidin-1-yl]-(thiolan-3-yl)methanone
PubChem CID115304651
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name[4-methyl-4-(methylamino)piperidin-1-yl]-(thiolan-3-yl)methanone
SMILESCNC1(C)CCN(C(=O)C2CCSC2)CC1
InChIInChI=1S/C12H22N2OS/c1-12(13-2)4-6-14(7-5-12)11(15)10-3-8-16-9-10/h10,13H,3-9H2,1-2H3
InChIKeyOERULEWRCFYEFX-UHFFFAOYSA-N
XLogP1.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-4-(methylamino)piperidin-1-yl]-(thiolan-3-yl)methanone?
The IUPAC name of [4-methyl-4-(methylamino)piperidin-1-yl]-(thiolan-3-yl)methanone (CID 115304651) is [4-methyl-4-(methylamino)piperidin-1-yl]-(thiolan-3-yl)methanone.
What is the SMILES notation for [4-methyl-4-(methylamino)piperidin-1-yl]-(thiolan-3-yl)methanone?
The canonical SMILES for [4-methyl-4-(methylamino)piperidin-1-yl]-(thiolan-3-yl)methanone is CNC1(C)CCN(C(=O)C2CCSC2)CC1.
What is the InChIKey of [4-methyl-4-(methylamino)piperidin-1-yl]-(thiolan-3-yl)methanone?
The InChIKey is OERULEWRCFYEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-12(13-2)4-6-14(7-5-12)11(15)10-3-8-16-9-10/h10,13H,3-9H2,1-2H3.
What are the key properties of [4-methyl-4-(methylamino)piperidin-1-yl]-(thiolan-3-yl)methanone?
[4-methyl-4-(methylamino)piperidin-1-yl]-(thiolan-3-yl)methanone has a molecular weight of 242.39 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-4-(methylamino)piperidin-1-yl]-(thiolan-3-yl)methanone is sourced from PubChem (CID 115304651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).