2-[(3R)-3-methoxypyrrolidin-1-yl]-N-(4-methylsulfanylphenyl)propanamide

C15H22N2O2S — CID 154749994

IUPAC2-[(3R)-3-methoxypyrrolidin-1-yl]-N-(4-methylsulfanylphenyl)propanamide
SMILESCO[C@@H]1CCN(C(C)C(=O)Nc2ccc(SC)cc2)C1
InChIInChI=1S/C15H22N2O2S/c1-11(17-9-8-13(10-17)19-2)15(18)16-12-4-6-14(20-3)7-5-12/h4-7,11,13H,8-10H2,1-3H3,(H,16,18)/t11?,13-/m1/s1
InChIKeyXGIXNGOWJASLAT-GLGOKHISSA-N
MW294.42 g/mol
LogP2.46
Rot. Bonds5

About 2-[(3R)-3-methoxypyrrolidin-1-yl]-N-(4-methylsulfanylphenyl)propanamide

2-[(3R)-3-methoxypyrrolidin-1-yl]-N-(4-methylsulfanylphenyl)propanamide (PubChem CID 154749994) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-[(3R)-3-methoxypyrrolidin-1-yl]-N-(4-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name2-[(3R)-3-methoxypyrrolidin-1-yl]-N-(4-methylsulfanylphenyl)propanamide
PubChem CID154749994
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name2-[(3R)-3-methoxypyrrolidin-1-yl]-N-(4-methylsulfanylphenyl)propanamide
SMILESCO[C@@H]1CCN(C(C)C(=O)Nc2ccc(SC)cc2)C1
InChIInChI=1S/C15H22N2O2S/c1-11(17-9-8-13(10-17)19-2)15(18)16-12-4-6-14(20-3)7-5-12/h4-7,11,13H,8-10H2,1-3H3,(H,16,18)/t11?,13-/m1/s1
InChIKeyXGIXNGOWJASLAT-GLGOKHISSA-N
XLogP2.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminophenyl)-2-(3-methoxypiperidin-1-yl)propanamide
CID 102956363
N-[4-(aminomethyl)phenyl]-2-(4-methoxypiperidin-1-yl)propanamide
CID 43372637
N-(2-amino-4-fluorophenyl)-2-(3-methoxypyrrolidin-1-yl)propanamide
CID 103530921
2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-N-(4-methylsulfanylphenyl)propanamide
CID 120760203
N-(4-chlorophenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide
CID 111332533
2-(3-methoxypyrrolidin-1-yl)propanoic acid
CID 103535131
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylpropanamide
CID 78962370
2-(4-methoxypiperidin-1-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 56810586
(2S)-N-(4-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 9275474
1-[1-(4-aminoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 16781124
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 111332468
N-(2-amino-4-chlorophenyl)-2-(3-methoxypiperidin-1-yl)propanamide
CID 102956440

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-methoxypyrrolidin-1-yl]-N-(4-methylsulfanylphenyl)propanamide?
The IUPAC name of 2-[(3R)-3-methoxypyrrolidin-1-yl]-N-(4-methylsulfanylphenyl)propanamide (CID 154749994) is 2-[(3R)-3-methoxypyrrolidin-1-yl]-N-(4-methylsulfanylphenyl)propanamide.
What is the SMILES notation for 2-[(3R)-3-methoxypyrrolidin-1-yl]-N-(4-methylsulfanylphenyl)propanamide?
The canonical SMILES for 2-[(3R)-3-methoxypyrrolidin-1-yl]-N-(4-methylsulfanylphenyl)propanamide is CO[C@@H]1CCN(C(C)C(=O)Nc2ccc(SC)cc2)C1.
What is the InChIKey of 2-[(3R)-3-methoxypyrrolidin-1-yl]-N-(4-methylsulfanylphenyl)propanamide?
The InChIKey is XGIXNGOWJASLAT-GLGOKHISSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-11(17-9-8-13(10-17)19-2)15(18)16-12-4-6-14(20-3)7-5-12/h4-7,11,13H,8-10H2,1-3H3,(H,16,18)/t11?,13-/m1/s1.
What are the key properties of 2-[(3R)-3-methoxypyrrolidin-1-yl]-N-(4-methylsulfanylphenyl)propanamide?
2-[(3R)-3-methoxypyrrolidin-1-yl]-N-(4-methylsulfanylphenyl)propanamide has a molecular weight of 294.42 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-methoxypyrrolidin-1-yl]-N-(4-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 154749994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).