N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethylsulfanyl)acetamide

C8H13F3N2O2S — CID 120947359

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethylsulfanyl)acetamide
SMILESO=C(CSC(F)(F)F)NCC1CNCC1O
InChIInChI=1S/C8H13F3N2O2S/c9-8(10,11)16-4-7(15)13-2-5-1-12-3-6(5)14/h5-6,12,14H,1-4H2,(H,13,15)
InChIKeyZNPHZQXXTSHBSY-UHFFFAOYSA-N
MW258.26 g/mol
LogP-0.06
Rot. Bonds4

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethylsulfanyl)acetamide

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethylsulfanyl)acetamide (PubChem CID 120947359) has the molecular formula C8H13F3N2O2S and a molecular weight of 258.26 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethylsulfanyl)acetamide
PubChem CID120947359
Molecular FormulaC8H13F3N2O2S
Molecular Weight258.26 g/mol
Exact Mass258.06
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethylsulfanyl)acetamide
SMILESO=C(CSC(F)(F)F)NCC1CNCC1O
InChIInChI=1S/C8H13F3N2O2S/c9-8(10,11)16-4-7(15)13-2-5-1-12-3-6(5)14/h5-6,12,14H,1-4H2,(H,13,15)
InChIKeyZNPHZQXXTSHBSY-UHFFFAOYSA-N
XLogP-0.06
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-trifluoro-N-{[(3R,4S)-4-hydroxy-3-pyrrolidinyl]methyl}acetamide
CID 59026159
2,2,2-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]acetamide
CID 59295712
2,2,2-trifluoro-N-{[(3R,4S)-4-hydroxy-3-pyrrolidinyl]methyl}acetamide HCl
CID 86616820
2,2,2-trifluoro-N-{[(3S,4R)-4-hydroxy-3-pyrrolidinyl]methyl}acetamide
CID 86646245
2,2,2-trifluoro-N-[[(3S,4R)-4-hydroxypyrrolidin-3-yl]methyl]acetamide;hydrochloride
CID 87481313
N-[(1-acetyl-4-hydroxypyrrolidin-3-yl)methyl]-2,2,2-trifluoroacetamide
CID 84083148
3-(2-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103726316
N-(3,3,3-trifluoro-2-hydroxypropyl)thiolane-3-carboxamide
CID 103769312
N-(3,3-difluoro-2-hydroxypropyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 103769998
N-(3,3-difluoro-2-hydroxypropyl)thiolane-3-carboxamide
CID 103770166
N-(2-hydroxy-3-methylbutyl)-2-(2,2,2-trifluoroethylsulfanyl)acetamide
CID 109887498
4,4,4-trifluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]butanamide
CID 120943840

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethylsulfanyl)acetamide?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethylsulfanyl)acetamide (CID 120947359) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethylsulfanyl)acetamide.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethylsulfanyl)acetamide?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethylsulfanyl)acetamide is O=C(CSC(F)(F)F)NCC1CNCC1O.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethylsulfanyl)acetamide?
The InChIKey is ZNPHZQXXTSHBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O2S/c9-8(10,11)16-4-7(15)13-2-5-1-12-3-6(5)14/h5-6,12,14H,1-4H2,(H,13,15).
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethylsulfanyl)acetamide?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethylsulfanyl)acetamide has a molecular weight of 258.26 g/mol, XLogP of -0.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethylsulfanyl)acetamide is sourced from PubChem (CID 120947359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).