N-propan-2-yl-3-(trifluoromethyl)piperidine-1-carbothioamide

C10H17F3N2S — CID 115570993

IUPACN-propan-2-yl-3-(trifluoromethyl)piperidine-1-carbothioamide
SMILESCC(C)NC(=S)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H17F3N2S/c1-7(2)14-9(16)15-5-3-4-8(6-15)10(11,12)13/h7-8H,3-6H2,1-2H3,(H,14,16)
InChIKeyQUHNTDJDSKMRFD-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.54
Rot. Bonds1

About N-propan-2-yl-3-(trifluoromethyl)piperidine-1-carbothioamide

N-propan-2-yl-3-(trifluoromethyl)piperidine-1-carbothioamide (PubChem CID 115570993) has the molecular formula C10H17F3N2S and a molecular weight of 254.32 g/mol. Its IUPAC name is N-propan-2-yl-3-(trifluoromethyl)piperidine-1-carbothioamide.

Molecular Properties

Compound NameN-propan-2-yl-3-(trifluoromethyl)piperidine-1-carbothioamide
PubChem CID115570993
Molecular FormulaC10H17F3N2S
Molecular Weight254.32 g/mol
Exact Mass254.11
IUPAC NameN-propan-2-yl-3-(trifluoromethyl)piperidine-1-carbothioamide
SMILESCC(C)NC(=S)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H17F3N2S/c1-7(2)14-9(16)15-5-3-4-8(6-15)10(11,12)13/h7-8H,3-6H2,1-2H3,(H,14,16)
InChIKeyQUHNTDJDSKMRFD-UHFFFAOYSA-N
XLogP2.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.54
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-3,5-dimethylpiperidine-1-carbothioamide
CID 3973700
N-cyclopentyl-3-methyl-1-piperidinecarbothioamide
CID 2945994
2-(1,1-Difluoroethyl)-4-propan-2-yl-1,3-diazinane
CID 170416868
N-butyl-3-(trifluoromethyl)piperidine-1-carbothioamide
CID 113218455
N-butyl-4-(trifluoromethyl)piperidine-1-carbothioamide
CID 113245367
3-Cyclohexyl-1-ethyl-1-(2,2,2-trifluoroethyl)thiourea
CID 113529144
N-cyclopentyl-4-(trifluoromethyl)piperidine-1-carbothioamide
CID 113529326
N-methyl-3-(trifluoromethyl)piperidine-1-carbothioamide
CID 115570989
N-ethyl-3-(trifluoromethyl)piperidine-1-carbothioamide
CID 115570990
N-cyclohexyl-3-(trifluoromethyl)piperidine-1-carbothioamide
CID 115570991
N-propyl-3-(trifluoromethyl)piperidine-1-carbothioamide
CID 115570995
N-(2-methylpropyl)-3-(trifluoromethyl)piperidine-1-carbothioamide
CID 115570996

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-(trifluoromethyl)piperidine-1-carbothioamide?
The IUPAC name of N-propan-2-yl-3-(trifluoromethyl)piperidine-1-carbothioamide (CID 115570993) is N-propan-2-yl-3-(trifluoromethyl)piperidine-1-carbothioamide.
What is the SMILES notation for N-propan-2-yl-3-(trifluoromethyl)piperidine-1-carbothioamide?
The canonical SMILES for N-propan-2-yl-3-(trifluoromethyl)piperidine-1-carbothioamide is CC(C)NC(=S)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-propan-2-yl-3-(trifluoromethyl)piperidine-1-carbothioamide?
The InChIKey is QUHNTDJDSKMRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2S/c1-7(2)14-9(16)15-5-3-4-8(6-15)10(11,12)13/h7-8H,3-6H2,1-2H3,(H,14,16).
What are the key properties of N-propan-2-yl-3-(trifluoromethyl)piperidine-1-carbothioamide?
N-propan-2-yl-3-(trifluoromethyl)piperidine-1-carbothioamide has a molecular weight of 254.32 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-(trifluoromethyl)piperidine-1-carbothioamide is sourced from PubChem (CID 115570993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).