(2R)-2-(dimethylamino)-2-(2-methylphenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone

C20H31N3OS — CID 97192752

IUPAC(2R)-2-(dimethylamino)-2-(2-methylphenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone
SMILESCc1ccccc1[C@H](C(=O)N1CCC(N2CCSCC2)CC1)N(C)C
InChIInChI=1S/C20H31N3OS/c1-16-6-4-5-7-18(16)19(21(2)3)20(24)23-10-8-17(9-11-23)22-12-14-25-15-13-22/h4-7,17,19H,8-15H2,1-3H3/t19-/m1/s1
InChIKeyFPEMZMXZSMCRIA-LJQANCHMSA-N
MW361.56 g/mol
LogP2.64
Rot. Bonds4

About (2R)-2-(dimethylamino)-2-(2-methylphenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone

(2R)-2-(dimethylamino)-2-(2-methylphenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone (PubChem CID 97192752) has the molecular formula C20H31N3OS and a molecular weight of 361.56 g/mol. Its IUPAC name is (2R)-2-(dimethylamino)-2-(2-methylphenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name(2R)-2-(dimethylamino)-2-(2-methylphenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone
PubChem CID97192752
Molecular FormulaC20H31N3OS
Molecular Weight361.56 g/mol
Exact Mass361.22
IUPAC Name(2R)-2-(dimethylamino)-2-(2-methylphenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone
SMILESCc1ccccc1[C@H](C(=O)N1CCC(N2CCSCC2)CC1)N(C)C
InChIInChI=1S/C20H31N3OS/c1-16-6-4-5-7-18(16)19(21(2)3)20(24)23-10-8-17(9-11-23)22-12-14-25-15-13-22/h4-7,17,19H,8-15H2,1-3H3/t19-/m1/s1
InChIKeyFPEMZMXZSMCRIA-LJQANCHMSA-N
XLogP2.64
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.56
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone
CID 97206351
2-(dimethylamino)-1-[4-(2-hydroxyethyl)piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 72865250
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone
CID 97196934
(2R)-2-(dimethylamino)-1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 97192808
ethyl 4-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]piperazine-1-carboxylate
CID 97124771
4-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)acetyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 97202211
2-(dimethylamino)-2-(2-methylphenyl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 72931057
(2R)-2-(dimethylamino)-1-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 97285815
(2S)-2-(dimethylamino)-2-(2-methylphenyl)-1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
CID 97200726
(2R)-2-hydroxy-2-(4-methoxyphenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone
CID 95388464
(2R)-2-(dimethylamino)-2-(2-methylphenyl)-1-(3-pyridin-3-ylazetidin-1-yl)ethanone
CID 97278574
(2S)-2-(dimethylamino)-2-(2-methylphenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 97284597

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(dimethylamino)-2-(2-methylphenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone?
The IUPAC name of (2R)-2-(dimethylamino)-2-(2-methylphenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone (CID 97192752) is (2R)-2-(dimethylamino)-2-(2-methylphenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for (2R)-2-(dimethylamino)-2-(2-methylphenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone?
The canonical SMILES for (2R)-2-(dimethylamino)-2-(2-methylphenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone is Cc1ccccc1[C@H](C(=O)N1CCC(N2CCSCC2)CC1)N(C)C.
What is the InChIKey of (2R)-2-(dimethylamino)-2-(2-methylphenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone?
The InChIKey is FPEMZMXZSMCRIA-LJQANCHMSA-N. The full InChI is InChI=1S/C20H31N3OS/c1-16-6-4-5-7-18(16)19(21(2)3)20(24)23-10-8-17(9-11-23)22-12-14-25-15-13-22/h4-7,17,19H,8-15H2,1-3H3/t19-/m1/s1.
What are the key properties of (2R)-2-(dimethylamino)-2-(2-methylphenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone?
(2R)-2-(dimethylamino)-2-(2-methylphenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone has a molecular weight of 361.56 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(dimethylamino)-2-(2-methylphenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 97192752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).