N-propyl-3-(trifluoromethyl)piperidine-1-carbothioamide

C10H17F3N2S — CID 115570995

IUPACN-propyl-3-(trifluoromethyl)piperidine-1-carbothioamide
SMILESCCCNC(=S)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H17F3N2S/c1-2-5-14-9(16)15-6-3-4-8(7-15)10(11,12)13/h8H,2-7H2,1H3,(H,14,16)
InChIKeyPQURUIIOITVLOO-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.55
Rot. Bonds2

About N-propyl-3-(trifluoromethyl)piperidine-1-carbothioamide

N-propyl-3-(trifluoromethyl)piperidine-1-carbothioamide (PubChem CID 115570995) has the molecular formula C10H17F3N2S and a molecular weight of 254.32 g/mol. Its IUPAC name is N-propyl-3-(trifluoromethyl)piperidine-1-carbothioamide.

Molecular Properties

Compound NameN-propyl-3-(trifluoromethyl)piperidine-1-carbothioamide
PubChem CID115570995
Molecular FormulaC10H17F3N2S
Molecular Weight254.32 g/mol
Exact Mass254.11
IUPAC NameN-propyl-3-(trifluoromethyl)piperidine-1-carbothioamide
SMILESCCCNC(=S)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H17F3N2S/c1-2-5-14-9(16)15-6-3-4-8(7-15)10(11,12)13/h8H,2-7H2,1H3,(H,14,16)
InChIKeyPQURUIIOITVLOO-UHFFFAOYSA-N
XLogP2.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.55
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

N-cyclohexyl-3-(trifluoromethyl)piperidine-1-carbothioamide
CID 115570991
3-methyl-N-propylpyrrolidine-1-carbothioamide
CID 115601990
(3R)-N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)piperidine-1-carbothioamide
CID 2569444
1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 60655671
N-propylazepane-1-carbothioamide
CID 19654131
N-amino-N'-propyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 104887066
(3R)-N-ethyl-N'-prop-2-enyl-3-(trifluoromethyl)piperidine-1-carboximidamide
CID 99816800
2-amino-1-[3-(trifluoromethyl)piperidin-1-yl]butan-1-one
CID 60918464
(3S)-3-(trifluoromethyl)piperidine-1-carbonyl chloride
CID 165491183
2,2,2-trifluoro-1-[3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 62733731
(3-methylpiperidin-1-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 116656471
N-butyl-3-(2-hydroxyethyl)piperidine-1-carbothioamide
CID 107227314

Frequently Asked Questions

What is the IUPAC name of N-propyl-3-(trifluoromethyl)piperidine-1-carbothioamide?
The IUPAC name of N-propyl-3-(trifluoromethyl)piperidine-1-carbothioamide (CID 115570995) is N-propyl-3-(trifluoromethyl)piperidine-1-carbothioamide.
What is the SMILES notation for N-propyl-3-(trifluoromethyl)piperidine-1-carbothioamide?
The canonical SMILES for N-propyl-3-(trifluoromethyl)piperidine-1-carbothioamide is CCCNC(=S)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-propyl-3-(trifluoromethyl)piperidine-1-carbothioamide?
The InChIKey is PQURUIIOITVLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2S/c1-2-5-14-9(16)15-6-3-4-8(7-15)10(11,12)13/h8H,2-7H2,1H3,(H,14,16).
What are the key properties of N-propyl-3-(trifluoromethyl)piperidine-1-carbothioamide?
N-propyl-3-(trifluoromethyl)piperidine-1-carbothioamide has a molecular weight of 254.32 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-(trifluoromethyl)piperidine-1-carbothioamide is sourced from PubChem (CID 115570995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).