1-[(3-fluoro-1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine

C10H19FN2O2S — CID 126845984

IUPAC1-[(3-fluoro-1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine
SMILESNC1CCN(CC2(F)CCS(=O)(=O)C2)CC1
InChIInChI=1S/C10H19FN2O2S/c11-10(3-6-16(14,15)8-10)7-13-4-1-9(12)2-5-13/h9H,1-8,12H2
InChIKeyYUTOGNFKNISIMI-UHFFFAOYSA-N
MW250.34 g/mol
LogP-0.06
Rot. Bonds2

About 1-[(3-fluoro-1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine

1-[(3-fluoro-1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine (PubChem CID 126845984) has the molecular formula C10H19FN2O2S and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[(3-fluoro-1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(3-fluoro-1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine
PubChem CID126845984
Molecular FormulaC10H19FN2O2S
Molecular Weight250.34 g/mol
Exact Mass250.12
IUPAC Name1-[(3-fluoro-1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine
SMILESNC1CCN(CC2(F)CCS(=O)(=O)C2)CC1
InChIInChI=1S/C10H19FN2O2S/c11-10(3-6-16(14,15)8-10)7-13-4-1-9(12)2-5-13/h9H,1-8,12H2
InChIKeyYUTOGNFKNISIMI-UHFFFAOYSA-N
XLogP-0.06
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3-fluoro-1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine with MolForge

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Related Compounds

3-[(Piperidin-4-yl)amino]-1lambda6-thiolane-1,1-dione
CID 43511755
N-(1-ethylsulfonylpropan-2-yl)-1-propan-2-ylpiperidin-4-amine
CID 86811497
4-(dimethylsulfamoylamino)-1-[(3S)-1,1-dioxothiolan-3-yl]piperidine
CID 129529395
3-[[3-(Aminomethyl)-3-fluoroazetidin-1-yl]methyl]-1,1-dioxothian-4-amine
CID 123411945
1-(1,1-Dioxothian-4-yl)-3-fluoropiperidin-4-amine
CID 176013970
3-Piperidin-1-ium-1-ylthiolane 1,1-dioxide chloride
CID 2896399
N-(1,1-dioxothiolan-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43757115
N-(1,1-dioxothian-4-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43778677
N-(3-methyl-1,1-dioxothiolan-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43780192
N-(3-methylsulfonylpropyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 54905511
1,1-dioxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]thian-4-amine
CID 60856956
N-[(1,1-dioxothiolan-3-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 61058873

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-[(3-fluoro-1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine (CID 126845984) is 1-[(3-fluoro-1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-[(3-fluoro-1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-[(3-fluoro-1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine is NC1CCN(CC2(F)CCS(=O)(=O)C2)CC1.
What is the InChIKey of 1-[(3-fluoro-1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine?
The InChIKey is YUTOGNFKNISIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2O2S/c11-10(3-6-16(14,15)8-10)7-13-4-1-9(12)2-5-13/h9H,1-8,12H2.
What are the key properties of 1-[(3-fluoro-1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine?
1-[(3-fluoro-1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine has a molecular weight of 250.34 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-1,1-dioxothiolan-3-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 126845984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).