1-(ethylcarbamothioyl)piperidine-4-carboxamide

C9H17N3OS — CID 773158

IUPAC1-(ethylcarbamothioyl)piperidine-4-carboxamide
SMILESCCNC(=S)N1CCC(C(N)=O)CC1
InChIInChI=1S/C9H17N3OS/c1-2-11-9(14)12-5-3-7(4-6-12)8(10)13/h7H,2-6H2,1H3,(H2,10,13)(H,11,14)
InChIKeyYLJMTCMRWZQPCX-UHFFFAOYSA-N
MW215.32 g/mol
LogP0.08
Rot. Bonds2

About 1-(ethylcarbamothioyl)piperidine-4-carboxamide

1-(ethylcarbamothioyl)piperidine-4-carboxamide (PubChem CID 773158) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 1-(ethylcarbamothioyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(ethylcarbamothioyl)piperidine-4-carboxamide
PubChem CID773158
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name1-(ethylcarbamothioyl)piperidine-4-carboxamide
SMILESCCNC(=S)N1CCC(C(N)=O)CC1
InChIInChI=1S/C9H17N3OS/c1-2-11-9(14)12-5-3-7(4-6-12)8(10)13/h7H,2-6H2,1H3,(H2,10,13)(H,11,14)
InChIKeyYLJMTCMRWZQPCX-UHFFFAOYSA-N
XLogP0.08
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(ethylcarbamothioyl)piperidine-4-carboxamide?
The IUPAC name of 1-(ethylcarbamothioyl)piperidine-4-carboxamide (CID 773158) is 1-(ethylcarbamothioyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(ethylcarbamothioyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(ethylcarbamothioyl)piperidine-4-carboxamide is CCNC(=S)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-(ethylcarbamothioyl)piperidine-4-carboxamide?
The InChIKey is YLJMTCMRWZQPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-2-11-9(14)12-5-3-7(4-6-12)8(10)13/h7H,2-6H2,1H3,(H2,10,13)(H,11,14).
What are the key properties of 1-(ethylcarbamothioyl)piperidine-4-carboxamide?
1-(ethylcarbamothioyl)piperidine-4-carboxamide has a molecular weight of 215.32 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylcarbamothioyl)piperidine-4-carboxamide is sourced from PubChem (CID 773158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).