3-carbamothioyl-N-ethyl-N-methylpiperidine-1-carboxamide

C10H19N3OS — CID 79159569

IUPAC3-carbamothioyl-N-ethyl-N-methylpiperidine-1-carboxamide
SMILESCCN(C)C(=O)N1CCCC(C(N)=S)C1
InChIInChI=1S/C10H19N3OS/c1-3-12(2)10(14)13-6-4-5-8(7-13)9(11)15/h8H,3-7H2,1-2H3,(H2,11,15)
InChIKeyGWCLXPWGOYCPDT-UHFFFAOYSA-N
MW229.35 g/mol
LogP1.06
Rot. Bonds2

About 3-carbamothioyl-N-ethyl-N-methylpiperidine-1-carboxamide

3-carbamothioyl-N-ethyl-N-methylpiperidine-1-carboxamide (PubChem CID 79159569) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 3-carbamothioyl-N-ethyl-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-carbamothioyl-N-ethyl-N-methylpiperidine-1-carboxamide
PubChem CID79159569
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name3-carbamothioyl-N-ethyl-N-methylpiperidine-1-carboxamide
SMILESCCN(C)C(=O)N1CCCC(C(N)=S)C1
InChIInChI=1S/C10H19N3OS/c1-3-12(2)10(14)13-6-4-5-8(7-13)9(11)15/h8H,3-7H2,1-2H3,(H2,11,15)
InChIKeyGWCLXPWGOYCPDT-UHFFFAOYSA-N
XLogP1.06
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 51.06
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

4-carbamothioyl-N-ethyl-N-methylpiperidine-1-carboxamide
CID 79159759
3-(aminomethyl)-N-ethyl-N-methylpiperidine-1-carboxamide
CID 79159626
N,3-diethyl-N-methylpiperidine-1-carboxamide
CID 116654344
2-carbamothioyl-N-ethyl-N-methylpyrrolidine-1-carboxamide
CID 79159265
N-ethyl-N-methyl-4-propan-2-ylazepane-1-carboxamide
CID 116656255
N-ethyl-N-methyl-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carboxamide
CID 116655848
2-carbamothioyl-N-ethyl-N-methylmorpholine-4-carboxamide
CID 79675024
3-amino-N-ethyl-N-methylpyrrolidine-1-carboxamide
CID 79162356
N,N-diethyl-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide
CID 79162286
N-(2-amino-2-sulfanylideneethyl)-N-methylpiperidine-1-carboxamide
CID 79155630
4-amino-N,3-diethyl-N-methylpiperidine-1-carboxamide
CID 81456883
N-(2-aminoethyl)-3-ethyl-N-methylpiperidine-1-carboxamide
CID 82508730

Frequently Asked Questions

What is the IUPAC name of 3-carbamothioyl-N-ethyl-N-methylpiperidine-1-carboxamide?
The IUPAC name of 3-carbamothioyl-N-ethyl-N-methylpiperidine-1-carboxamide (CID 79159569) is 3-carbamothioyl-N-ethyl-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 3-carbamothioyl-N-ethyl-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 3-carbamothioyl-N-ethyl-N-methylpiperidine-1-carboxamide is CCN(C)C(=O)N1CCCC(C(N)=S)C1.
What is the InChIKey of 3-carbamothioyl-N-ethyl-N-methylpiperidine-1-carboxamide?
The InChIKey is GWCLXPWGOYCPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-3-12(2)10(14)13-6-4-5-8(7-13)9(11)15/h8H,3-7H2,1-2H3,(H2,11,15).
What are the key properties of 3-carbamothioyl-N-ethyl-N-methylpiperidine-1-carboxamide?
3-carbamothioyl-N-ethyl-N-methylpiperidine-1-carboxamide has a molecular weight of 229.35 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamothioyl-N-ethyl-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 79159569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).