2-(thian-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

C10H16F3NO2S — CID 103769310

IUPAC2-(thian-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESO=C(CC1CCSCC1)NCC(O)C(F)(F)F
InChIInChI=1S/C10H16F3NO2S/c11-10(12,13)8(15)6-14-9(16)5-7-1-3-17-4-2-7/h7-8,15H,1-6H2,(H,14,16)
InChIKeyHDGQQHBQUQSJFG-UHFFFAOYSA-N
MW271.30 g/mol
LogP1.56
Rot. Bonds4

About 2-(thian-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

2-(thian-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (PubChem CID 103769310) has the molecular formula C10H16F3NO2S and a molecular weight of 271.30 g/mol. Its IUPAC name is 2-(thian-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(thian-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
PubChem CID103769310
Molecular FormulaC10H16F3NO2S
Molecular Weight271.30 g/mol
Exact Mass271.09
IUPAC Name2-(thian-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESO=C(CC1CCSCC1)NCC(O)C(F)(F)F
InChIInChI=1S/C10H16F3NO2S/c11-10(12,13)8(15)6-14-9(16)5-7-1-3-17-4-2-7/h7-8,15H,1-6H2,(H,14,16)
InChIKeyHDGQQHBQUQSJFG-UHFFFAOYSA-N
XLogP1.56
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(thian-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The IUPAC name of 2-(thian-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (CID 103769310) is 2-(thian-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(thian-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The canonical SMILES for 2-(thian-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is O=C(CC1CCSCC1)NCC(O)C(F)(F)F.
What is the InChIKey of 2-(thian-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The InChIKey is HDGQQHBQUQSJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2S/c11-10(12,13)8(15)6-14-9(16)5-7-1-3-17-4-2-7/h7-8,15H,1-6H2,(H,14,16).
What are the key properties of 2-(thian-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
2-(thian-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide has a molecular weight of 271.30 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thian-4-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is sourced from PubChem (CID 103769310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).