1-(2-fluoroethyl)-4-methylpiperidine-4-carbothioamide

C9H17FN2S — CID 107161503

IUPAC1-(2-fluoroethyl)-4-methylpiperidine-4-carbothioamide
SMILESCC1(C(N)=S)CCN(CCF)CC1
InChIInChI=1S/C9H17FN2S/c1-9(8(11)13)2-5-12(6-3-9)7-4-10/h2-7H2,1H3,(H2,11,13)
InChIKeyNPYADZNIUBBEDS-UHFFFAOYSA-N
MW204.31 g/mol
LogP1.34
Rot. Bonds3

About 1-(2-fluoroethyl)-4-methylpiperidine-4-carbothioamide

1-(2-fluoroethyl)-4-methylpiperidine-4-carbothioamide (PubChem CID 107161503) has the molecular formula C9H17FN2S and a molecular weight of 204.31 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-methylpiperidine-4-carbothioamide.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-methylpiperidine-4-carbothioamide
PubChem CID107161503
Molecular FormulaC9H17FN2S
Molecular Weight204.31 g/mol
Exact Mass204.11
IUPAC Name1-(2-fluoroethyl)-4-methylpiperidine-4-carbothioamide
SMILESCC1(C(N)=S)CCN(CCF)CC1
InChIInChI=1S/C9H17FN2S/c1-9(8(11)13)2-5-12(6-3-9)7-4-10/h2-7H2,1H3,(H2,11,13)
InChIKeyNPYADZNIUBBEDS-UHFFFAOYSA-N
XLogP1.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2,2-Dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pentanethioamide
CID 65259745
2-[1-[[4-(Trifluoromethyl)piperidin-1-yl]methyl]cyclopropyl]ethanethioamide
CID 65537206
2,2-Dimethyl-5-[4-(trifluoromethyl)piperidin-1-yl]pentanethioamide
CID 65537399
2,2-Dimethyl-4-[4-(trifluoromethyl)piperidin-1-yl]butanethioamide
CID 65537596
2,2-Dimethyl-5-[3-(trifluoromethyl)piperidin-1-yl]pentanethioamide
CID 65537980
2,2-Dimethyl-4-[3-(trifluoromethyl)piperidin-1-yl]butanethioamide
CID 65538175
2-Methyl-3-[4-(trifluoromethyl)piperidin-1-yl]propanethioamide
CID 65538939
1-(2-Fluoroethyl)piperidine-4-carbothioamide
CID 80695856
1-(2-Fluoroethyl)-4-methylsulfanylpiperidine-4-carbothioamide
CID 80696001
1-(3-Fluoropropyl)piperidine-4-carbothioamide
CID 81105602
1-(3-Fluoropropyl)-4-methylsulfanylpiperidine-4-carbothioamide
CID 81105926
[4-(Fluoromethyl)-1-methylpiperidin-4-yl]methanamine
CID 83854316

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-methylpiperidine-4-carbothioamide?
The IUPAC name of 1-(2-fluoroethyl)-4-methylpiperidine-4-carbothioamide (CID 107161503) is 1-(2-fluoroethyl)-4-methylpiperidine-4-carbothioamide.
What is the SMILES notation for 1-(2-fluoroethyl)-4-methylpiperidine-4-carbothioamide?
The canonical SMILES for 1-(2-fluoroethyl)-4-methylpiperidine-4-carbothioamide is CC1(C(N)=S)CCN(CCF)CC1.
What is the InChIKey of 1-(2-fluoroethyl)-4-methylpiperidine-4-carbothioamide?
The InChIKey is NPYADZNIUBBEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2S/c1-9(8(11)13)2-5-12(6-3-9)7-4-10/h2-7H2,1H3,(H2,11,13).
What are the key properties of 1-(2-fluoroethyl)-4-methylpiperidine-4-carbothioamide?
1-(2-fluoroethyl)-4-methylpiperidine-4-carbothioamide has a molecular weight of 204.31 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-methylpiperidine-4-carbothioamide is sourced from PubChem (CID 107161503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).