3-fluoro-N-(thiolan-3-yl)azetidine-1-carboxamide

C8H13FN2OS — CID 130976683

IUPAC3-fluoro-N-(thiolan-3-yl)azetidine-1-carboxamide
SMILESO=C(NC1CCSC1)N1CC(F)C1
InChIInChI=1S/C8H13FN2OS/c9-6-3-11(4-6)8(12)10-7-1-2-13-5-7/h6-7H,1-5H2,(H,10,12)
InChIKeyZEWNJMNPXMVEQO-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.86
Rot. Bonds1

About 3-fluoro-N-(thiolan-3-yl)azetidine-1-carboxamide

3-fluoro-N-(thiolan-3-yl)azetidine-1-carboxamide (PubChem CID 130976683) has the molecular formula C8H13FN2OS and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-fluoro-N-(thiolan-3-yl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(thiolan-3-yl)azetidine-1-carboxamide
PubChem CID130976683
Molecular FormulaC8H13FN2OS
Molecular Weight204.27 g/mol
Exact Mass204.07
IUPAC Name3-fluoro-N-(thiolan-3-yl)azetidine-1-carboxamide
SMILESO=C(NC1CCSC1)N1CC(F)C1
InChIInChI=1S/C8H13FN2OS/c9-6-3-11(4-6)8(12)10-7-1-2-13-5-7/h6-7H,1-5H2,(H,10,12)
InChIKeyZEWNJMNPXMVEQO-UHFFFAOYSA-N
XLogP0.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Thiolan-3-yl)-3-(2,2,2-trifluoroethyl)urea
CID 103710057
1-Methyl-1-(thiolan-3-yl)-3-(2,2,2-trifluoroethyl)urea
CID 115766563
3-fluoro-N-(2-methylsulfanylpropyl)azetidine-1-carboxamide
CID 126766575
3-fluoro-N-(1-methylsulfanylpropan-2-yl)azetidine-1-carboxamide
CID 126778824
1-(2,2-Difluoroethyl)-1-methyl-3-(thiolan-3-yl)urea
CID 126789206
1-[(2S)-1-fluoropropan-2-yl]-3-(thiolan-3-yl)urea
CID 130614724
1-(2-Fluoroethyl)-3-(thiolan-3-yl)urea
CID 130775782
1-(2,2-Dimethylthietan-3-yl)-3-(2-fluoroethyl)urea
CID 131002778
3-fluoro-N-(4-methylthiolan-3-yl)azetidine-1-carboxamide
CID 132292899
3-fluoro-N-(thiolan-3-ylmethyl)azetidine-1-carboxamide
CID 132299593
3-fluoro-N-(5-methylthiolan-3-yl)azetidine-1-carboxamide
CID 132354221
3-fluoro-N-(thiolan-2-ylmethyl)azetidine-1-carboxamide
CID 132372683

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(thiolan-3-yl)azetidine-1-carboxamide?
The IUPAC name of 3-fluoro-N-(thiolan-3-yl)azetidine-1-carboxamide (CID 130976683) is 3-fluoro-N-(thiolan-3-yl)azetidine-1-carboxamide.
What is the SMILES notation for 3-fluoro-N-(thiolan-3-yl)azetidine-1-carboxamide?
The canonical SMILES for 3-fluoro-N-(thiolan-3-yl)azetidine-1-carboxamide is O=C(NC1CCSC1)N1CC(F)C1.
What is the InChIKey of 3-fluoro-N-(thiolan-3-yl)azetidine-1-carboxamide?
The InChIKey is ZEWNJMNPXMVEQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2OS/c9-6-3-11(4-6)8(12)10-7-1-2-13-5-7/h6-7H,1-5H2,(H,10,12).
What are the key properties of 3-fluoro-N-(thiolan-3-yl)azetidine-1-carboxamide?
3-fluoro-N-(thiolan-3-yl)azetidine-1-carboxamide has a molecular weight of 204.27 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(thiolan-3-yl)azetidine-1-carboxamide is sourced from PubChem (CID 130976683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).