1-(1-carbamothioyl-3-methylcyclobutanecarbonyl)piperidine-2-carboxamide

C13H21N3O2S — CID 80588871

IUPAC1-(1-carbamothioyl-3-methylcyclobutanecarbonyl)piperidine-2-carboxamide
SMILESCC1CC(C(=O)N2CCCCC2C(N)=O)(C(N)=S)C1
InChIInChI=1S/C13H21N3O2S/c1-8-6-13(7-8,11(15)19)12(18)16-5-3-2-4-9(16)10(14)17/h8-9H,2-7H2,1H3,(H2,14,17)(H2,15,19)
InChIKeyWMEKCDKNGLHOMP-UHFFFAOYSA-N
MW283.40 g/mol
LogP0.56
Rot. Bonds3

About 1-(1-carbamothioyl-3-methylcyclobutanecarbonyl)piperidine-2-carboxamide

1-(1-carbamothioyl-3-methylcyclobutanecarbonyl)piperidine-2-carboxamide (PubChem CID 80588871) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-(1-carbamothioyl-3-methylcyclobutanecarbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(1-carbamothioyl-3-methylcyclobutanecarbonyl)piperidine-2-carboxamide
PubChem CID80588871
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name1-(1-carbamothioyl-3-methylcyclobutanecarbonyl)piperidine-2-carboxamide
SMILESCC1CC(C(=O)N2CCCCC2C(N)=O)(C(N)=S)C1
InChIInChI=1S/C13H21N3O2S/c1-8-6-13(7-8,11(15)19)12(18)16-5-3-2-4-9(16)10(14)17/h8-9H,2-7H2,1H3,(H2,14,17)(H2,15,19)
InChIKeyWMEKCDKNGLHOMP-UHFFFAOYSA-N
XLogP0.56
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-hydroxyethyl)piperidine-1-carbonyl]-3-methylcyclobutane-1-carbothioamide
CID 80592402
4-(1-carbamothioyl-3-methylcyclobutanecarbonyl)morpholine-3-carboxamide
CID 83102673
methyl 1-(1-carbamothioylcyclobutanecarbonyl)piperidine-2-carboxylate
CID 115534684
1-[1-(N'-hydroxycarbamimidoyl)cyclohexanecarbonyl]piperidine-2-carboxamide
CID 76921367
1-(4-methylpiperidine-4-carbonyl)piperidine-2-carboxamide
CID 55177939
1-(2-amino-1-methylcyclopentanecarbonyl)piperidine-2-carboxamide
CID 82765624
ethyl 1-(1-carbamothioylcyclobutanecarbonyl)pyrrolidine-2-carboxylate
CID 80590095
1-(2-methylpropanoyl)piperidine-2-carboxamide
CID 60717227
1-propanoylpiperidine-2-carboxamide
CID 60717244
3-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)cyclobutane-1-carbothioamide
CID 80590977
1-oxaldehydoylpiperidine-2-carboxamide
CID 123380194
(2S)-1-[(2S)-2-hydroxypropanoyl]piperidine-2-carboxamide
CID 173098418

Frequently Asked Questions

What is the IUPAC name of 1-(1-carbamothioyl-3-methylcyclobutanecarbonyl)piperidine-2-carboxamide?
The IUPAC name of 1-(1-carbamothioyl-3-methylcyclobutanecarbonyl)piperidine-2-carboxamide (CID 80588871) is 1-(1-carbamothioyl-3-methylcyclobutanecarbonyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(1-carbamothioyl-3-methylcyclobutanecarbonyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(1-carbamothioyl-3-methylcyclobutanecarbonyl)piperidine-2-carboxamide is CC1CC(C(=O)N2CCCCC2C(N)=O)(C(N)=S)C1.
What is the InChIKey of 1-(1-carbamothioyl-3-methylcyclobutanecarbonyl)piperidine-2-carboxamide?
The InChIKey is WMEKCDKNGLHOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-8-6-13(7-8,11(15)19)12(18)16-5-3-2-4-9(16)10(14)17/h8-9H,2-7H2,1H3,(H2,14,17)(H2,15,19).
What are the key properties of 1-(1-carbamothioyl-3-methylcyclobutanecarbonyl)piperidine-2-carboxamide?
1-(1-carbamothioyl-3-methylcyclobutanecarbonyl)piperidine-2-carboxamide has a molecular weight of 283.40 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-carbamothioyl-3-methylcyclobutanecarbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 80588871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).