3,3-dimethyl-N-(2-methylpropyl)piperidine-1-carbothioamide

C12H24N2S — CID 115623852

IUPAC3,3-dimethyl-N-(2-methylpropyl)piperidine-1-carbothioamide
SMILESCC(C)CNC(=S)N1CCCC(C)(C)C1
InChIInChI=1S/C12H24N2S/c1-10(2)8-13-11(15)14-7-5-6-12(3,4)9-14/h10H,5-9H2,1-4H3,(H,13,15)
InChIKeyBCBODHWMCYVGPL-UHFFFAOYSA-N
MW228.40 g/mol
LogP2.64
Rot. Bonds2

About 3,3-dimethyl-N-(2-methylpropyl)piperidine-1-carbothioamide

3,3-dimethyl-N-(2-methylpropyl)piperidine-1-carbothioamide (PubChem CID 115623852) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is 3,3-dimethyl-N-(2-methylpropyl)piperidine-1-carbothioamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(2-methylpropyl)piperidine-1-carbothioamide
PubChem CID115623852
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name3,3-dimethyl-N-(2-methylpropyl)piperidine-1-carbothioamide
SMILESCC(C)CNC(=S)N1CCCC(C)(C)C1
InChIInChI=1S/C12H24N2S/c1-10(2)8-13-11(15)14-7-5-6-12(3,4)9-14/h10H,5-9H2,1-4H3,(H,13,15)
InChIKeyBCBODHWMCYVGPL-UHFFFAOYSA-N
XLogP2.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 52.64
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

1-(3,3-dimethylpiperidin-1-yl)-3-methylbutan-1-one
CID 58688971
3-methyl-1-(2-methylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 63137697
N-(2-methylpropyl)-1,4-thiazepane-4-carbothioamide
CID 115587662
N-ethyl-3,3-dimethylpiperidine-1-carboxamide
CID 115624358
3,4-dimethyl-N-(2-methylpropyl)pyrrolidine-1-carbothioamide
CID 115662509
N-amino-3,3-dimethyl-N'-(2-methylpropyl)piperidine-1-carboximidamide
CID 104886315
(2S)-2-[(3,3-dimethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 78956516
1-[(1-methylcyclopentyl)methyl]-3-(2-methylpropyl)thiourea
CID 115618766
N-(2-methylpropyl)-4-piperidin-1-ylpiperidine-1-carbothioamide
CID 115583674
1-(2-methylpropyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)thiourea
CID 115576760
1-(1-methylcyclopentyl)-3-(2-methylpropyl)thiourea
CID 115593471
4-tert-butyl-N-(2-methylpropyl)piperidine-1-carbothioamide
CID 113236850

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(2-methylpropyl)piperidine-1-carbothioamide?
The IUPAC name of 3,3-dimethyl-N-(2-methylpropyl)piperidine-1-carbothioamide (CID 115623852) is 3,3-dimethyl-N-(2-methylpropyl)piperidine-1-carbothioamide.
What is the SMILES notation for 3,3-dimethyl-N-(2-methylpropyl)piperidine-1-carbothioamide?
The canonical SMILES for 3,3-dimethyl-N-(2-methylpropyl)piperidine-1-carbothioamide is CC(C)CNC(=S)N1CCCC(C)(C)C1.
What is the InChIKey of 3,3-dimethyl-N-(2-methylpropyl)piperidine-1-carbothioamide?
The InChIKey is BCBODHWMCYVGPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2S/c1-10(2)8-13-11(15)14-7-5-6-12(3,4)9-14/h10H,5-9H2,1-4H3,(H,13,15).
What are the key properties of 3,3-dimethyl-N-(2-methylpropyl)piperidine-1-carbothioamide?
3,3-dimethyl-N-(2-methylpropyl)piperidine-1-carbothioamide has a molecular weight of 228.40 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(2-methylpropyl)piperidine-1-carbothioamide is sourced from PubChem (CID 115623852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).