3-fluoropiperidine-1-carbothioamide

C6H11FN2S — CID 87432781

IUPAC3-fluoropiperidine-1-carbothioamide
SMILESNC(=S)N1CCCC(F)C1
InChIInChI=1S/C6H11FN2S/c7-5-2-1-3-9(4-5)6(8)10/h5H,1-4H2,(H2,8,10)
InChIKeyKDGPPJGEHRWEFB-UHFFFAOYSA-N
MW162.23 g/mol
LogP0.66
Rot. Bonds

About 3-fluoropiperidine-1-carbothioamide

3-fluoropiperidine-1-carbothioamide (PubChem CID 87432781) has the molecular formula C6H11FN2S and a molecular weight of 162.23 g/mol. Its IUPAC name is 3-fluoropiperidine-1-carbothioamide.

Molecular Properties

Compound Name3-fluoropiperidine-1-carbothioamide
PubChem CID87432781
Molecular FormulaC6H11FN2S
Molecular Weight162.23 g/mol
Exact Mass162.06
IUPAC Name3-fluoropiperidine-1-carbothioamide
SMILESNC(=S)N1CCCC(F)C1
InChIInChI=1S/C6H11FN2S/c7-5-2-1-3-9(4-5)6(8)10/h5H,1-4H2,(H2,8,10)
InChIKeyKDGPPJGEHRWEFB-UHFFFAOYSA-N
XLogP0.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Piperidine-1-carbothioamide
CID 1551232
1-Piperidinecarbothioamide, N-methyl-
CID 698350
Piperidinomethyl thiourea
CID 12106595
4-(Trifluoromethyl)piperidine-1-carbothioamide
CID 23125405
4,4-Difluoropiperidine-1-carbothioamide
CID 45118489
N-(2,2,2-trifluoroethyl)piperidine-1-carbothioamide
CID 85906689
3,3-Difluoropiperidine-1-carbothioamide
CID 89026135
3-(Trifluoromethyl)piperidine-1-carbothioamide
CID 65534261
4,4-difluoro-N-methylpiperidine-1-carbothioamide
CID 126990030
4-(Difluoromethyl)piperidine-1-carbothioamide
CID 130700448
3,3-Difluoro-n-methylpiperidine-1-carbothioamide
CID 164645648
n-Ethyl-4-fluoropiperidine-1-carbothioamide
CID 164657808

Frequently Asked Questions

What is the IUPAC name of 3-fluoropiperidine-1-carbothioamide?
The IUPAC name of 3-fluoropiperidine-1-carbothioamide (CID 87432781) is 3-fluoropiperidine-1-carbothioamide.
What is the SMILES notation for 3-fluoropiperidine-1-carbothioamide?
The canonical SMILES for 3-fluoropiperidine-1-carbothioamide is NC(=S)N1CCCC(F)C1.
What is the InChIKey of 3-fluoropiperidine-1-carbothioamide?
The InChIKey is KDGPPJGEHRWEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN2S/c7-5-2-1-3-9(4-5)6(8)10/h5H,1-4H2,(H2,8,10).
What are the key properties of 3-fluoropiperidine-1-carbothioamide?
3-fluoropiperidine-1-carbothioamide has a molecular weight of 162.23 g/mol, XLogP of 0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropiperidine-1-carbothioamide is sourced from PubChem (CID 87432781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).