sulfane;2,2,2-trifluoro-N-[(3S)-pyrrolidin-3-yl]acetamide

C6H11F3N2OS — CID 161088064

IUPACsulfane;2,2,2-trifluoro-N-[(3S)-pyrrolidin-3-yl]acetamide
SMILESO=C(N[C@H]1CCNC1)C(F)(F)F.S
InChIInChI=1S/C6H9F3N2O.H2S/c7-6(8,9)5(12)11-4-1-2-10-3-4;/h4,10H,1-3H2,(H,11,12);1H2/t4-;/m0./s1
InChIKeyUGUGHWHRIGDCEI-WCCKRBBISA-N
MW216.23 g/mol
LogP0.14
Rot. Bonds1

About sulfane;2,2,2-trifluoro-N-[(3S)-pyrrolidin-3-yl]acetamide

sulfane;2,2,2-trifluoro-N-[(3S)-pyrrolidin-3-yl]acetamide (PubChem CID 161088064) has the molecular formula C6H11F3N2OS and a molecular weight of 216.23 g/mol. Its IUPAC name is sulfane;2,2,2-trifluoro-N-[(3S)-pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Namesulfane;2,2,2-trifluoro-N-[(3S)-pyrrolidin-3-yl]acetamide
PubChem CID161088064
Molecular FormulaC6H11F3N2OS
Molecular Weight216.23 g/mol
Exact Mass216.05
IUPAC Namesulfane;2,2,2-trifluoro-N-[(3S)-pyrrolidin-3-yl]acetamide
SMILESO=C(N[C@H]1CCNC1)C(F)(F)F.S
InChIInChI=1S/C6H9F3N2O.H2S/c7-6(8,9)5(12)11-4-1-2-10-3-4;/h4,10H,1-3H2,(H,11,12);1H2/t4-;/m0./s1
InChIKeyUGUGHWHRIGDCEI-WCCKRBBISA-N
XLogP0.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of sulfane;2,2,2-trifluoro-N-[(3S)-pyrrolidin-3-yl]acetamide?
The IUPAC name of sulfane;2,2,2-trifluoro-N-[(3S)-pyrrolidin-3-yl]acetamide (CID 161088064) is sulfane;2,2,2-trifluoro-N-[(3S)-pyrrolidin-3-yl]acetamide.
What is the SMILES notation for sulfane;2,2,2-trifluoro-N-[(3S)-pyrrolidin-3-yl]acetamide?
The canonical SMILES for sulfane;2,2,2-trifluoro-N-[(3S)-pyrrolidin-3-yl]acetamide is O=C(N[C@H]1CCNC1)C(F)(F)F.S.
What is the InChIKey of sulfane;2,2,2-trifluoro-N-[(3S)-pyrrolidin-3-yl]acetamide?
The InChIKey is UGUGHWHRIGDCEI-WCCKRBBISA-N. The full InChI is InChI=1S/C6H9F3N2O.H2S/c7-6(8,9)5(12)11-4-1-2-10-3-4;/h4,10H,1-3H2,(H,11,12);1H2/t4-;/m0./s1.
What are the key properties of sulfane;2,2,2-trifluoro-N-[(3S)-pyrrolidin-3-yl]acetamide?
sulfane;2,2,2-trifluoro-N-[(3S)-pyrrolidin-3-yl]acetamide has a molecular weight of 216.23 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sulfane;2,2,2-trifluoro-N-[(3S)-pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 161088064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).