3-fluoro-N-(1-methylsulfanylpropan-2-yl)azetidine-1-carboxamide

C8H15FN2OS — CID 126778824

IUPAC3-fluoro-N-(1-methylsulfanylpropan-2-yl)azetidine-1-carboxamide
SMILESCSCC(C)NC(=O)N1CC(F)C1
InChIInChI=1S/C8H15FN2OS/c1-6(5-13-2)10-8(12)11-3-7(9)4-11/h6-7H,3-5H2,1-2H3,(H,10,12)
InChIKeyUNZJTUSEKXGRFY-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.10
Rot. Bonds3

About 3-fluoro-N-(1-methylsulfanylpropan-2-yl)azetidine-1-carboxamide

3-fluoro-N-(1-methylsulfanylpropan-2-yl)azetidine-1-carboxamide (PubChem CID 126778824) has the molecular formula C8H15FN2OS and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-fluoro-N-(1-methylsulfanylpropan-2-yl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-(1-methylsulfanylpropan-2-yl)azetidine-1-carboxamide
PubChem CID126778824
Molecular FormulaC8H15FN2OS
Molecular Weight206.29 g/mol
Exact Mass206.09
IUPAC Name3-fluoro-N-(1-methylsulfanylpropan-2-yl)azetidine-1-carboxamide
SMILESCSCC(C)NC(=O)N1CC(F)C1
InChIInChI=1S/C8H15FN2OS/c1-6(5-13-2)10-8(12)11-3-7(9)4-11/h6-7H,3-5H2,1-2H3,(H,10,12)
InChIKeyUNZJTUSEKXGRFY-UHFFFAOYSA-N
XLogP1.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(trifluoromethylsulfanyl)ethyl]azetidine-1-carboxamide
CID 71938756
1-Methyl-1-(1-methylsulfanylpropan-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 115640209
1-(4-Methylsulfanylbutan-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 115640221
1-Methyl-1-(4-methylsulfanylbutan-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 115640229
1-(4-Ethylsulfanylbutan-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 115663001
1-Methyl-1-(1-methylsulfanylbutan-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 115897711
1-(1-Methylsulfanylbutan-2-yl)-3-(2,2,2-trifluoroethyl)urea
CID 115899262
3-fluoro-N-(2-methylsulfanylpropyl)azetidine-1-carboxamide
CID 126766575
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
3-fluoro-N-(thiolan-3-yl)azetidine-1-carboxamide
CID 130976683
1-(2,2-Dimethylthietan-3-yl)-3-(2-fluoroethyl)urea
CID 131002778

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(1-methylsulfanylpropan-2-yl)azetidine-1-carboxamide?
The IUPAC name of 3-fluoro-N-(1-methylsulfanylpropan-2-yl)azetidine-1-carboxamide (CID 126778824) is 3-fluoro-N-(1-methylsulfanylpropan-2-yl)azetidine-1-carboxamide.
What is the SMILES notation for 3-fluoro-N-(1-methylsulfanylpropan-2-yl)azetidine-1-carboxamide?
The canonical SMILES for 3-fluoro-N-(1-methylsulfanylpropan-2-yl)azetidine-1-carboxamide is CSCC(C)NC(=O)N1CC(F)C1.
What is the InChIKey of 3-fluoro-N-(1-methylsulfanylpropan-2-yl)azetidine-1-carboxamide?
The InChIKey is UNZJTUSEKXGRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2OS/c1-6(5-13-2)10-8(12)11-3-7(9)4-11/h6-7H,3-5H2,1-2H3,(H,10,12).
What are the key properties of 3-fluoro-N-(1-methylsulfanylpropan-2-yl)azetidine-1-carboxamide?
3-fluoro-N-(1-methylsulfanylpropan-2-yl)azetidine-1-carboxamide has a molecular weight of 206.29 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(1-methylsulfanylpropan-2-yl)azetidine-1-carboxamide is sourced from PubChem (CID 126778824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).