4-carbamothioyl-N-ethyl-N-methylpiperidine-1-carboxamide

C10H19N3OS — CID 79159759

IUPAC4-carbamothioyl-N-ethyl-N-methylpiperidine-1-carboxamide
SMILESCCN(C)C(=O)N1CCC(C(N)=S)CC1
InChIInChI=1S/C10H19N3OS/c1-3-12(2)10(14)13-6-4-8(5-7-13)9(11)15/h8H,3-7H2,1-2H3,(H2,11,15)
InChIKeyPVUYGAVPBMPEDY-UHFFFAOYSA-N
MW229.35 g/mol
LogP1.06
Rot. Bonds2

About 4-carbamothioyl-N-ethyl-N-methylpiperidine-1-carboxamide

4-carbamothioyl-N-ethyl-N-methylpiperidine-1-carboxamide (PubChem CID 79159759) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 4-carbamothioyl-N-ethyl-N-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-carbamothioyl-N-ethyl-N-methylpiperidine-1-carboxamide
PubChem CID79159759
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name4-carbamothioyl-N-ethyl-N-methylpiperidine-1-carboxamide
SMILESCCN(C)C(=O)N1CCC(C(N)=S)CC1
InChIInChI=1S/C10H19N3OS/c1-3-12(2)10(14)13-6-4-8(5-7-13)9(11)15/h8H,3-7H2,1-2H3,(H2,11,15)
InChIKeyPVUYGAVPBMPEDY-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

3-carbamothioyl-N-ethyl-N-methylpiperidine-1-carboxamide
CID 79159569
4-carbamothioyl-N,N-dimethylpiperidine-1-carboxamide
CID 79154300
N-ethyl-4-hydroxy-N-methylpiperidine-1-carboxamide
CID 79160344
N-ethyl-N-methyl-4-propan-2-ylazepane-1-carboxamide
CID 116656255
3-amino-N-ethyl-N-methylpyrrolidine-1-carboxamide
CID 79162356
2-carbamothioyl-N-ethyl-N-methylpyrrolidine-1-carboxamide
CID 79159265
N-ethyl-4-(ethylamino)-N-methylpiperidine-1-carboxamide
CID 79152490
2-carbamothioyl-N-ethyl-N-methylmorpholine-4-carboxamide
CID 79675024
4-amino-N,3-diethyl-N-methylpiperidine-1-carboxamide
CID 81456883
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-N,4-dimethylpiperidine-1-carboxamide
CID 79159659
N-(2-amino-2-sulfanylideneethyl)-N-methylpiperidine-1-carboxamide
CID 79155630
1-[ethyl(methyl)carbamoyl]piperidine-3,4-dicarboxylic acid
CID 112568039

Frequently Asked Questions

What is the IUPAC name of 4-carbamothioyl-N-ethyl-N-methylpiperidine-1-carboxamide?
The IUPAC name of 4-carbamothioyl-N-ethyl-N-methylpiperidine-1-carboxamide (CID 79159759) is 4-carbamothioyl-N-ethyl-N-methylpiperidine-1-carboxamide.
What is the SMILES notation for 4-carbamothioyl-N-ethyl-N-methylpiperidine-1-carboxamide?
The canonical SMILES for 4-carbamothioyl-N-ethyl-N-methylpiperidine-1-carboxamide is CCN(C)C(=O)N1CCC(C(N)=S)CC1.
What is the InChIKey of 4-carbamothioyl-N-ethyl-N-methylpiperidine-1-carboxamide?
The InChIKey is PVUYGAVPBMPEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-3-12(2)10(14)13-6-4-8(5-7-13)9(11)15/h8H,3-7H2,1-2H3,(H2,11,15).
What are the key properties of 4-carbamothioyl-N-ethyl-N-methylpiperidine-1-carboxamide?
4-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 4-carbamothioyl-N-ethyl-N-methylpiperidine-1-carboxamide is sourced from PubChem (CID 79159759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).