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

C13H24N2OS — CID 120634101

IUPAC(2,2-dimethylthiomorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
SMILESC[C@H]1C[C@@H](C(=O)N2CCSC(C)(C)C2)CCN1
InChIInChI=1S/C13H24N2OS/c1-10-8-11(4-5-14-10)12(16)15-6-7-17-13(2,3)9-15/h10-11,14H,4-9H2,1-3H3/t10-,11-/m0/s1
InChIKeyRATMGUDPBZQBME-QWRGUYRKSA-N
MW256.41 g/mol
LogP1.73
Rot. Bonds1

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

(2,2-dimethylthiomorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone (PubChem CID 120634101) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is (2,2-dimethylthiomorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone.

Molecular Properties

Compound Name(2,2-dimethylthiomorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
PubChem CID120634101
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name(2,2-dimethylthiomorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
SMILESC[C@H]1C[C@@H](C(=O)N2CCSC(C)(C)C2)CCN1
InChIInChI=1S/C13H24N2OS/c1-10-8-11(4-5-14-10)12(16)15-6-7-17-13(2,3)9-15/h10-11,14H,4-9H2,1-3H3/t10-,11-/m0/s1
InChIKeyRATMGUDPBZQBME-QWRGUYRKSA-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

(2,2-dimethylthiomorpholin-4-yl)-pyrrolidin-3-ylmethanone
CID 115740257
[(2S,4S)-2-methylpiperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 120620099
(2,2-dimethylmorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120623489
azepan-1-yl-(2-methylpiperidin-4-yl)methanone
CID 106738508
N,3-dimethyl-1-(2-methylpiperidine-4-carbonyl)pyrrolidine-3-carboxamide
CID 106318369
(2,2-dimethylthiomorpholin-4-yl)-[(2R)-piperidin-2-yl]methanone;hydrochloride
CID 119791833
[(2S,4S)-2-methylpiperidin-4-yl]-(3-methylpyrrolidin-1-yl)methanone
CID 120625537
3-ethyl-1-(2-methylpiperidine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 106740017
6-bicyclo[3.1.0]hexanyl-(2,2-dimethylthiomorpholin-4-yl)methanone
CID 71923474
[(3S)-3-hydroxypyrrolidin-1-yl]-(2-methylpiperidin-4-yl)methanone
CID 106832199
(2,3-dimethylthiomorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120634084
(2,2-dimethylthiomorpholin-4-yl)-[(2S,4S)-4-methoxypyrrolidin-2-yl]methanone
CID 128980849

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylthiomorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone?
The IUPAC name of (2,2-dimethylthiomorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone (CID 120634101) is (2,2-dimethylthiomorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone.
What is the SMILES notation for (2,2-dimethylthiomorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone?
The canonical SMILES for (2,2-dimethylthiomorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone is C[C@H]1C[C@@H](C(=O)N2CCSC(C)(C)C2)CCN1.
What is the InChIKey of (2,2-dimethylthiomorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone?
The InChIKey is RATMGUDPBZQBME-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-10-8-11(4-5-14-10)12(16)15-6-7-17-13(2,3)9-15/h10-11,14H,4-9H2,1-3H3/t10-,11-/m0/s1.
What are the key properties of (2,2-dimethylthiomorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone?
(2,2-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 (2,2-dimethylthiomorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone is sourced from PubChem (CID 120634101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).