1-(cyclobutylmethyl)piperidine-4-carbothioamide

C11H20N2S — CID 65458520

IUPAC1-(cyclobutylmethyl)piperidine-4-carbothioamide
SMILESNC(=S)C1CCN(CC2CCC2)CC1
InChIInChI=1S/C11H20N2S/c12-11(14)10-4-6-13(7-5-10)8-9-2-1-3-9/h9-10H,1-8H2,(H2,12,14)
InChIKeyLMPLLWDVCGUWTA-UHFFFAOYSA-N
MW212.36 g/mol
LogP1.78
Rot. Bonds3

About 1-(cyclobutylmethyl)piperidine-4-carbothioamide

1-(cyclobutylmethyl)piperidine-4-carbothioamide (PubChem CID 65458520) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)piperidine-4-carbothioamide.

Molecular Properties

Compound Name1-(cyclobutylmethyl)piperidine-4-carbothioamide
PubChem CID65458520
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name1-(cyclobutylmethyl)piperidine-4-carbothioamide
SMILESNC(=S)C1CCN(CC2CCC2)CC1
InChIInChI=1S/C11H20N2S/c12-11(14)10-4-6-13(7-5-10)8-9-2-1-3-9/h9-10H,1-8H2,(H2,12,14)
InChIKeyLMPLLWDVCGUWTA-UHFFFAOYSA-N
XLogP1.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 51.78
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

1-(cyclobutylmethyl)azetidine
CID 89347168
1-propylpiperidine-4-carbothioamide
CID 39237916
methyl 1-(cyclobutylmethyl)piperidine-4-carboxylate
CID 65462250
1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;ethane
CID 170608342
1-(oxan-4-ylmethyl)piperidine-4-carboxamide
CID 67032986
2-[4-(cyclobutylmethyl)piperazin-1-yl]ethanol
CID 65462860
1-(cyclopentylmethyl)-4-propan-2-ylpiperidine
CID 142532061
4-(pyrrolidin-1-ylmethyl)piperidine-1-carboxamide
CID 61059386
4-(cyclohexylmethyl)piperazine-1-carbodithioic acid
CID 155294687
1-[(4-ethylmorpholin-2-yl)methyl]piperidine-4-carbothioamide
CID 79172211
2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclohexan-1-ol
CID 63009019
1-(cyclobutylmethyl)piperidine-4-carbaldehyde
CID 65461855

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)piperidine-4-carbothioamide?
The IUPAC name of 1-(cyclobutylmethyl)piperidine-4-carbothioamide (CID 65458520) is 1-(cyclobutylmethyl)piperidine-4-carbothioamide.
What is the SMILES notation for 1-(cyclobutylmethyl)piperidine-4-carbothioamide?
The canonical SMILES for 1-(cyclobutylmethyl)piperidine-4-carbothioamide is NC(=S)C1CCN(CC2CCC2)CC1.
What is the InChIKey of 1-(cyclobutylmethyl)piperidine-4-carbothioamide?
The InChIKey is LMPLLWDVCGUWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c12-11(14)10-4-6-13(7-5-10)8-9-2-1-3-9/h9-10H,1-8H2,(H2,12,14).
What are the key properties of 1-(cyclobutylmethyl)piperidine-4-carbothioamide?
1-(cyclobutylmethyl)piperidine-4-carbothioamide has a molecular weight of 212.36 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)piperidine-4-carbothioamide is sourced from PubChem (CID 65458520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).