N-(1-methylpyrrolidin-3-yl)-2-(2-methylsulfanylphenyl)acetamide

C14H20N2OS — CID 110473699

IUPACN-(1-methylpyrrolidin-3-yl)-2-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1CC(=O)NC1CCN(C)C1
InChIInChI=1S/C14H20N2OS/c1-16-8-7-12(10-16)15-14(17)9-11-5-3-4-6-13(11)18-2/h3-6,12H,7-10H2,1-2H3,(H,15,17)
InChIKeyCBCHUORNZMLOTC-UHFFFAOYSA-N
MW264.39 g/mol
LogP1.77
Rot. Bonds4

About N-(1-methylpyrrolidin-3-yl)-2-(2-methylsulfanylphenyl)acetamide

N-(1-methylpyrrolidin-3-yl)-2-(2-methylsulfanylphenyl)acetamide (PubChem CID 110473699) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-(1-methylpyrrolidin-3-yl)-2-(2-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound NameN-(1-methylpyrrolidin-3-yl)-2-(2-methylsulfanylphenyl)acetamide
PubChem CID110473699
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-(1-methylpyrrolidin-3-yl)-2-(2-methylsulfanylphenyl)acetamide
SMILESCSc1ccccc1CC(=O)NC1CCN(C)C1
InChIInChI=1S/C14H20N2OS/c1-16-8-7-12(10-16)15-14(17)9-11-5-3-4-6-13(11)18-2/h3-6,12H,7-10H2,1-2H3,(H,15,17)
InChIKeyCBCHUORNZMLOTC-UHFFFAOYSA-N
XLogP1.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)-N-(1-methylpiperidin-3-yl)acetamide
CID 47344420
4-amino-N-(1-methylpyrrolidin-3-yl)-4-phenylbutanamide
CID 63324217
2-[2-(aminomethyl)phenoxy]-N-(1-methylpyrrolidin-3-yl)acetamide
CID 61461595
2-methyl-N-[(3R)-1-methylpyrrolidin-3-yl]propanamide
CID 90442555
(2R)-2-amino-N-(1-methylpyrrolidin-3-yl)-3-phenylpropanamide
CID 78985707
3-(3-fluorophenyl)-N-(1-methylpyrrolidin-3-yl)propanamide
CID 110737633
3-amino-N-(1-methylpyrrolidin-3-yl)propanamide
CID 61465444
2-(1H-indol-4-yl)-N-(1-methylpiperidin-3-yl)acetamide
CID 100959575
N-(1-methylpyrrolidin-3-yl)butanamide
CID 18723360
(2R)-2-hydroxy-N-(1-methylpyrrolidin-3-yl)propanamide
CID 130918497
N-(1-methylpiperidin-4-yl)-2-(4-phenylphenyl)acetamide
CID 31098228
2-fluoro-3-methyl-N-(1-methylpyrrolidin-3-yl)benzamide
CID 80710472

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrrolidin-3-yl)-2-(2-methylsulfanylphenyl)acetamide?
The IUPAC name of N-(1-methylpyrrolidin-3-yl)-2-(2-methylsulfanylphenyl)acetamide (CID 110473699) is N-(1-methylpyrrolidin-3-yl)-2-(2-methylsulfanylphenyl)acetamide.
What is the SMILES notation for N-(1-methylpyrrolidin-3-yl)-2-(2-methylsulfanylphenyl)acetamide?
The canonical SMILES for N-(1-methylpyrrolidin-3-yl)-2-(2-methylsulfanylphenyl)acetamide is CSc1ccccc1CC(=O)NC1CCN(C)C1.
What is the InChIKey of N-(1-methylpyrrolidin-3-yl)-2-(2-methylsulfanylphenyl)acetamide?
The InChIKey is CBCHUORNZMLOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-16-8-7-12(10-16)15-14(17)9-11-5-3-4-6-13(11)18-2/h3-6,12H,7-10H2,1-2H3,(H,15,17).
What are the key properties of N-(1-methylpyrrolidin-3-yl)-2-(2-methylsulfanylphenyl)acetamide?
N-(1-methylpyrrolidin-3-yl)-2-(2-methylsulfanylphenyl)acetamide has a molecular weight of 264.39 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrrolidin-3-yl)-2-(2-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 110473699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).