(2,3-dimethylthiomorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone

C13H24N2OS — CID 120634084

IUPAC(2,3-dimethylthiomorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
SMILESCC1SCCN(C(=O)[C@H]2CCN[C@@H](C)C2)C1C
InChIInChI=1S/C13H24N2OS/c1-9-8-12(4-5-14-9)13(16)15-6-7-17-11(3)10(15)2/h9-12,14H,4-8H2,1-3H3/t9-,10?,11?,12-/m0/s1
InChIKeyYLGACWJNADHRMD-XKGSQUFQSA-N
MW256.41 g/mol
LogP1.73
Rot. Bonds1

About (2,3-dimethylthiomorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone

(2,3-dimethylthiomorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone (PubChem CID 120634084) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is (2,3-dimethylthiomorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethylthiomorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
PubChem CID120634084
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name(2,3-dimethylthiomorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
SMILESCC1SCCN(C(=O)[C@H]2CCN[C@@H](C)C2)C1C
InChIInChI=1S/C13H24N2OS/c1-9-8-12(4-5-14-9)13(16)15-6-7-17-11(3)10(15)2/h9-12,14H,4-8H2,1-3H3/t9-,10?,11?,12-/m0/s1
InChIKeyYLGACWJNADHRMD-XKGSQUFQSA-N
XLogP1.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]thiazin-4-yl-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120636655
cyclobutyl-(2,3-dimethylthiomorpholin-4-yl)methanone
CID 71930717
[(2S,4S)-2-methylpiperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 120620099
azepan-1-yl-(2-methylpiperidin-4-yl)methanone
CID 106738508
(2,2-dimethylthiomorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120634101
[2-(hydroxymethyl)piperidin-1-yl]-(2-methylpiperidin-4-yl)methanone
CID 106738823
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120617962
(2,3-dimethylthiomorpholin-4-yl)-(4-methoxypyrrolidin-2-yl)methanone
CID 113315037
[(2S,4S)-2-methylpiperidin-4-yl]-(3-methylpyrrolidin-1-yl)methanone
CID 120625537
[(3S)-3-hydroxypyrrolidin-1-yl]-(2-methylpiperidin-4-yl)methanone
CID 106832199
1-(2,3-dimethylthiomorpholine-4-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106744572
[2-(5-methylfuran-2-yl)piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120637389

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylthiomorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone?
The IUPAC name of (2,3-dimethylthiomorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone (CID 120634084) is (2,3-dimethylthiomorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone.
What is the SMILES notation for (2,3-dimethylthiomorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone?
The canonical SMILES for (2,3-dimethylthiomorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone is CC1SCCN(C(=O)[C@H]2CCN[C@@H](C)C2)C1C.
What is the InChIKey of (2,3-dimethylthiomorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone?
The InChIKey is YLGACWJNADHRMD-XKGSQUFQSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-9-8-12(4-5-14-9)13(16)15-6-7-17-11(3)10(15)2/h9-12,14H,4-8H2,1-3H3/t9-,10?,11?,12-/m0/s1.
What are the key properties of (2,3-dimethylthiomorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone?
(2,3-dimethylthiomorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone has a molecular weight of 256.41 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylthiomorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone is sourced from PubChem (CID 120634084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).