(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone

C19H28FN3OS — CID 97206351

IUPAC(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone
SMILESCN(C)[C@H](C(=O)N1CCC(N2CCSCC2)CC1)c1ccccc1F
InChIInChI=1S/C19H28FN3OS/c1-21(2)18(16-5-3-4-6-17(16)20)19(24)23-9-7-15(8-10-23)22-11-13-25-14-12-22/h3-6,15,18H,7-14H2,1-2H3/t18-/m0/s1
InChIKeyWZFJBMFJAUMJBI-SFHVURJKSA-N
MW365.52 g/mol
LogP2.47
Rot. Bonds4

About (2S)-2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone

(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone (PubChem CID 97206351) has the molecular formula C19H28FN3OS and a molecular weight of 365.52 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone
PubChem CID97206351
Molecular FormulaC19H28FN3OS
Molecular Weight365.52 g/mol
Exact Mass365.19
IUPAC Name(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone
SMILESCN(C)[C@H](C(=O)N1CCC(N2CCSCC2)CC1)c1ccccc1F
InChIInChI=1S/C19H28FN3OS/c1-21(2)18(16-5-3-4-6-17(16)20)19(24)23-9-7-15(8-10-23)22-11-13-25-14-12-22/h3-6,15,18H,7-14H2,1-2H3/t18-/m0/s1
InChIKeyWZFJBMFJAUMJBI-SFHVURJKSA-N
XLogP2.47
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(dimethylamino)-2-(2-methylphenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone
CID 97192752
(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
2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 146388962
2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 135253062
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-1-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
CID 97133868
(2S)-1-[4-(azepan-1-yl)piperidin-1-yl]-2-(2-fluorophenyl)-2-hydroxyethanone
CID 125171393
2-(dimethylamino)-2-(3-fluorophenyl)-1-(4-morpholin-4-ylpiperidin-1-yl)ethanone
CID 72869087
(2R)-2-(dimethylamino)-2-(3-fluorophenyl)-1-thiomorpholin-4-ylethanone
CID 97199367
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)acetic acid
CID 26722551
4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]thiomorpholine
CID 171335538
9-[(2R)-2-(dimethylamino)-2-(2-fluorophenyl)acetyl]-2-ethyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97148827

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone?
The IUPAC name of (2S)-2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone (CID 97206351) is (2S)-2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for (2S)-2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone?
The canonical SMILES for (2S)-2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone is CN(C)[C@H](C(=O)N1CCC(N2CCSCC2)CC1)c1ccccc1F.
What is the InChIKey of (2S)-2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone?
The InChIKey is WZFJBMFJAUMJBI-SFHVURJKSA-N. The full InChI is InChI=1S/C19H28FN3OS/c1-21(2)18(16-5-3-4-6-17(16)20)19(24)23-9-7-15(8-10-23)22-11-13-25-14-12-22/h3-6,15,18H,7-14H2,1-2H3/t18-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone?
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone has a molecular weight of 365.52 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-2-(2-fluorophenyl)-1-(4-thiomorpholin-4-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 97206351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).