(2S)-N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)-2-thiomorpholin-4-ylacetamide

C19H23N3OS — CID 95284461

IUPAC(2S)-N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)-2-thiomorpholin-4-ylacetamide
SMILESCN(Cc1ccccn1)C(=O)[C@H](c1ccccc1)N1CCSCC1
InChIInChI=1S/C19H23N3OS/c1-21(15-17-9-5-6-10-20-17)19(23)18(16-7-3-2-4-8-16)22-11-13-24-14-12-22/h2-10,18H,11-15H2,1H3/t18-/m0/s1
InChIKeyMRBOXNRCGFVJEC-SFHVURJKSA-N
MW341.48 g/mol
LogP2.83
Rot. Bonds5

About (2S)-N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)-2-thiomorpholin-4-ylacetamide

(2S)-N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)-2-thiomorpholin-4-ylacetamide (PubChem CID 95284461) has the molecular formula C19H23N3OS and a molecular weight of 341.48 g/mol. Its IUPAC name is (2S)-N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)-2-thiomorpholin-4-ylacetamide.

Molecular Properties

Compound Name(2S)-N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)-2-thiomorpholin-4-ylacetamide
PubChem CID95284461
Molecular FormulaC19H23N3OS
Molecular Weight341.48 g/mol
Exact Mass341.16
IUPAC Name(2S)-N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)-2-thiomorpholin-4-ylacetamide
SMILESCN(Cc1ccccn1)C(=O)[C@H](c1ccccc1)N1CCSCC1
InChIInChI=1S/C19H23N3OS/c1-21(15-17-9-5-6-10-20-17)19(23)18(16-7-3-2-4-8-16)22-11-13-24-14-12-22/h2-10,18H,11-15H2,1H3/t18-/m0/s1
InChIKeyMRBOXNRCGFVJEC-SFHVURJKSA-N
XLogP2.83
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2-amino-2-oxoethyl)-N-methyl-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 95293657
2-chloro-N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
CID 43565135
N-(3-amino-4-methylpentyl)-N-methyl-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 119660216
3-amino-N,2-dimethyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride
CID 119958567
3-methyl-2-[methyl(pyridin-2-ylmethyl)carbamoyl]butanoic acid
CID 115186252
1-amino-N-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 65466995
N-methyl-N-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide
CID 115590459
(2S)-1-(4-acetylpiperazin-1-yl)-2-phenyl-2-thiomorpholin-4-ylethanone
CID 95151755
N-methyl-2-phenyl-N-(2-phenylethyl)-2-pyrrolidin-1-ylacetamide
CID 86888403
(2S)-2-phenyl-N-(1,3-thiazol-2-ylmethyl)-2-thiomorpholin-4-ylacetamide
CID 95302146
2-(aminomethyl)-N,4,4-trimethyl-N-(pyridin-2-ylmethyl)pentanamide
CID 107471201
(3R)-3-(4-methoxyphenyl)-N-methyl-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 42522519

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)-2-thiomorpholin-4-ylacetamide?
The IUPAC name of (2S)-N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)-2-thiomorpholin-4-ylacetamide (CID 95284461) is (2S)-N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)-2-thiomorpholin-4-ylacetamide.
What is the SMILES notation for (2S)-N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)-2-thiomorpholin-4-ylacetamide?
The canonical SMILES for (2S)-N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)-2-thiomorpholin-4-ylacetamide is CN(Cc1ccccn1)C(=O)[C@H](c1ccccc1)N1CCSCC1.
What is the InChIKey of (2S)-N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)-2-thiomorpholin-4-ylacetamide?
The InChIKey is MRBOXNRCGFVJEC-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23N3OS/c1-21(15-17-9-5-6-10-20-17)19(23)18(16-7-3-2-4-8-16)22-11-13-24-14-12-22/h2-10,18H,11-15H2,1H3/t18-/m0/s1.
What are the key properties of (2S)-N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)-2-thiomorpholin-4-ylacetamide?
(2S)-N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)-2-thiomorpholin-4-ylacetamide has a molecular weight of 341.48 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)-2-thiomorpholin-4-ylacetamide is sourced from PubChem (CID 95284461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).