1-(1-carbamothioylcyclopropanecarbonyl)-N-methylpiperidine-3-carboxamide

C12H19N3O2S — CID 103195835

IUPAC1-(1-carbamothioylcyclopropanecarbonyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(=O)C2(C(N)=S)CC2)C1
InChIInChI=1S/C12H19N3O2S/c1-14-9(16)8-3-2-6-15(7-8)11(17)12(4-5-12)10(13)18/h8H,2-7H2,1H3,(H2,13,18)(H,14,16)
InChIKeyTUWYFBIYPYMXQB-UHFFFAOYSA-N
MW269.37 g/mol
LogP0.04
Rot. Bonds3

About 1-(1-carbamothioylcyclopropanecarbonyl)-N-methylpiperidine-3-carboxamide

1-(1-carbamothioylcyclopropanecarbonyl)-N-methylpiperidine-3-carboxamide (PubChem CID 103195835) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-(1-carbamothioylcyclopropanecarbonyl)-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-carbamothioylcyclopropanecarbonyl)-N-methylpiperidine-3-carboxamide
PubChem CID103195835
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name1-(1-carbamothioylcyclopropanecarbonyl)-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(=O)C2(C(N)=S)CC2)C1
InChIInChI=1S/C12H19N3O2S/c1-14-9(16)8-3-2-6-15(7-8)11(17)12(4-5-12)10(13)18/h8H,2-7H2,1H3,(H2,13,18)(H,14,16)
InChIKeyTUWYFBIYPYMXQB-UHFFFAOYSA-N
XLogP0.04
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 50.04
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-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 103941342
1-(1-carbamothioylcyclopropanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 80590062
1-[1-(N'-hydroxycarbamimidoyl)cyclopentanecarbonyl]-N-methylpiperidine-3-carboxamide
CID 103197545
1-(1-aminocyclopropanecarbonyl)-N-methylpiperidine-3-carboxamide
CID 103811036
1-[3-(hydroxymethyl)piperidine-1-carbonyl]cyclobutane-1-carbothioamide
CID 80589779
1-(2-carbamothioyl-3-methylbutanoyl)-N-methylpiperidine-3-carboxamide
CID 103195834
4-(3-methoxypiperidine-1-carbonyl)oxane-4-carbothioamide
CID 102957868
1-[(2R)-2-aminopropanoyl]-N-methylpiperidine-3-carboxamide
CID 103796761
1-(4-ethylazepane-1-carbonyl)cyclobutane-1-carbothioamide
CID 80590481
1-[3-(2-hydroxyethyl)piperidine-1-carbonyl]cycloheptane-1-carbothioamide
CID 107227387
1-(3-ethoxypiperidine-1-carbonyl)cyclobutane-1-carbothioamide
CID 80588872
1-(2,2-dimethylpropanoyl)-N-methylpiperidine-3-carboxamide
CID 47406835

Frequently Asked Questions

What is the IUPAC name of 1-(1-carbamothioylcyclopropanecarbonyl)-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(1-carbamothioylcyclopropanecarbonyl)-N-methylpiperidine-3-carboxamide (CID 103195835) is 1-(1-carbamothioylcyclopropanecarbonyl)-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(1-carbamothioylcyclopropanecarbonyl)-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(1-carbamothioylcyclopropanecarbonyl)-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(C(=O)C2(C(N)=S)CC2)C1.
What is the InChIKey of 1-(1-carbamothioylcyclopropanecarbonyl)-N-methylpiperidine-3-carboxamide?
The InChIKey is TUWYFBIYPYMXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-14-9(16)8-3-2-6-15(7-8)11(17)12(4-5-12)10(13)18/h8H,2-7H2,1H3,(H2,13,18)(H,14,16).
What are the key properties of 1-(1-carbamothioylcyclopropanecarbonyl)-N-methylpiperidine-3-carboxamide?
1-(1-carbamothioylcyclopropanecarbonyl)-N-methylpiperidine-3-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-carbamothioylcyclopropanecarbonyl)-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103195835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).