2-[(2R)-2-(methylsulfamoylmethyl)pyrrolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide

C15H23N3O3S2 — CID 95973729

IUPAC2-[(2R)-2-(methylsulfamoylmethyl)pyrrolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
SMILESCNS(=O)(=O)C[C@H]1CCCN1CC(=O)Nc1cccc(SC)c1
InChIInChI=1S/C15H23N3O3S2/c1-16-23(20,21)11-13-6-4-8-18(13)10-15(19)17-12-5-3-7-14(9-12)22-2/h3,5,7,9,13,16H,4,6,8,10-11H2,1-2H3,(H,17,19)/t13-/m1/s1
InChIKeyLKXMXDJMIVRRCI-CYBMUJFWSA-N
MW357.50 g/mol
LogP1.36
Rot. Bonds7

About 2-[(2R)-2-(methylsulfamoylmethyl)pyrrolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide

2-[(2R)-2-(methylsulfamoylmethyl)pyrrolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 95973729) has the molecular formula C15H23N3O3S2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 2-[(2R)-2-(methylsulfamoylmethyl)pyrrolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2R)-2-(methylsulfamoylmethyl)pyrrolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
PubChem CID95973729
Molecular FormulaC15H23N3O3S2
Molecular Weight357.50 g/mol
Exact Mass357.12
IUPAC Name2-[(2R)-2-(methylsulfamoylmethyl)pyrrolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
SMILESCNS(=O)(=O)C[C@H]1CCCN1CC(=O)Nc1cccc(SC)c1
InChIInChI=1S/C15H23N3O3S2/c1-16-23(20,21)11-13-6-4-8-18(13)10-15(19)17-12-5-3-7-14(9-12)22-2/h3,5,7,9,13,16H,4,6,8,10-11H2,1-2H3,(H,17,19)/t13-/m1/s1
InChIKeyLKXMXDJMIVRRCI-CYBMUJFWSA-N
XLogP1.36
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-fluorophenyl)-2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 62046362
N-(3-fluorophenyl)-2-[2-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119928586
2-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 41269116
N-(3-aminophenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 43266229
2-[(2S)-2-ethylpiperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 129380241
N-(3-aminophenyl)-2-[2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 61407514
2-(2-ethylpiperidin-1-yl)-N-(3-iodophenyl)acetamide
CID 47104594
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 62046860
2-[(2R)-1-(4-fluorophenyl)sulfonylpiperidin-2-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 42065287
N-(3,4-difluorophenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 42999278
2-(2-ethylpiperidin-1-yl)-N-(3-nitrophenyl)acetamide
CID 171704776
N-(3-bromophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684623

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(methylsulfamoylmethyl)pyrrolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[(2R)-2-(methylsulfamoylmethyl)pyrrolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide (CID 95973729) is 2-[(2R)-2-(methylsulfamoylmethyl)pyrrolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[(2R)-2-(methylsulfamoylmethyl)pyrrolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[(2R)-2-(methylsulfamoylmethyl)pyrrolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide is CNS(=O)(=O)C[C@H]1CCCN1CC(=O)Nc1cccc(SC)c1.
What is the InChIKey of 2-[(2R)-2-(methylsulfamoylmethyl)pyrrolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is LKXMXDJMIVRRCI-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23N3O3S2/c1-16-23(20,21)11-13-6-4-8-18(13)10-15(19)17-12-5-3-7-14(9-12)22-2/h3,5,7,9,13,16H,4,6,8,10-11H2,1-2H3,(H,17,19)/t13-/m1/s1.
What are the key properties of 2-[(2R)-2-(methylsulfamoylmethyl)pyrrolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide?
2-[(2R)-2-(methylsulfamoylmethyl)pyrrolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 357.50 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(methylsulfamoylmethyl)pyrrolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 95973729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).