2-cyclopentylsulfanyl-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide

C17H22F3N3OS — CID 99874819

IUPAC2-cyclopentylsulfanyl-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide
SMILESO=C(CSC1CCCC1)N[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C17H22F3N3OS/c18-17(19,20)12-5-6-15(21-9-12)23-8-7-13(10-23)22-16(24)11-25-14-3-1-2-4-14/h5-6,9,13-14H,1-4,7-8,10-11H2,(H,22,24)/t13-/m0/s1
InChIKeyDFSSERXTQXXIBW-ZDUSSCGKSA-N
MW373.44 g/mol
LogP3.47
Rot. Bonds5

About 2-cyclopentylsulfanyl-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide

2-cyclopentylsulfanyl-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide (PubChem CID 99874819) has the molecular formula C17H22F3N3OS and a molecular weight of 373.44 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide
PubChem CID99874819
Molecular FormulaC17H22F3N3OS
Molecular Weight373.44 g/mol
Exact Mass373.14
IUPAC Name2-cyclopentylsulfanyl-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide
SMILESO=C(CSC1CCCC1)N[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C17H22F3N3OS/c18-17(19,20)12-5-6-15(21-9-12)23-8-7-13(10-23)22-16(24)11-25-14-3-1-2-4-14/h5-6,9,13-14H,1-4,7-8,10-11H2,(H,22,24)/t13-/m0/s1
InChIKeyDFSSERXTQXXIBW-ZDUSSCGKSA-N
XLogP3.47
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclopentylsulfanyl-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-cyclopentylsulfanyl-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide (CID 99874819) is 2-cyclopentylsulfanyl-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-cyclopentylsulfanyl-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-cyclopentylsulfanyl-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide is O=C(CSC1CCCC1)N[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of 2-cyclopentylsulfanyl-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide?
The InChIKey is DFSSERXTQXXIBW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22F3N3OS/c18-17(19,20)12-5-6-15(21-9-12)23-8-7-13(10-23)22-16(24)11-25-14-3-1-2-4-14/h5-6,9,13-14H,1-4,7-8,10-11H2,(H,22,24)/t13-/m0/s1.
What are the key properties of 2-cyclopentylsulfanyl-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide?
2-cyclopentylsulfanyl-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide has a molecular weight of 373.44 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 99874819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).