2-(4-carbamothioyl-4-methylpiperidin-1-yl)-N,N-diethylpropanamide

C14H27N3OS — CID 107161572

IUPAC2-(4-carbamothioyl-4-methylpiperidin-1-yl)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)N1CCC(C)(C(N)=S)CC1
InChIInChI=1S/C14H27N3OS/c1-5-16(6-2)12(18)11(3)17-9-7-14(4,8-10-17)13(15)19/h11H,5-10H2,1-4H3,(H2,15,19)
InChIKeyKIERWWDOUWIOBP-UHFFFAOYSA-N
MW285.46 g/mol
LogP1.63
Rot. Bonds5

About 2-(4-carbamothioyl-4-methylpiperidin-1-yl)-N,N-diethylpropanamide

2-(4-carbamothioyl-4-methylpiperidin-1-yl)-N,N-diethylpropanamide (PubChem CID 107161572) has the molecular formula C14H27N3OS and a molecular weight of 285.46 g/mol. Its IUPAC name is 2-(4-carbamothioyl-4-methylpiperidin-1-yl)-N,N-diethylpropanamide.

Molecular Properties

Compound Name2-(4-carbamothioyl-4-methylpiperidin-1-yl)-N,N-diethylpropanamide
PubChem CID107161572
Molecular FormulaC14H27N3OS
Molecular Weight285.46 g/mol
Exact Mass285.19
IUPAC Name2-(4-carbamothioyl-4-methylpiperidin-1-yl)-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)C(C)N1CCC(C)(C(N)=S)CC1
InChIInChI=1S/C14H27N3OS/c1-5-16(6-2)12(18)11(3)17-9-7-14(4,8-10-17)13(15)19/h11H,5-10H2,1-4H3,(H2,15,19)
InChIKeyKIERWWDOUWIOBP-UHFFFAOYSA-N
XLogP1.63
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.46
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-(4-carbamothioyl-4-methylpiperidin-1-yl)-N,N-diethylpropanamide?
The IUPAC name of 2-(4-carbamothioyl-4-methylpiperidin-1-yl)-N,N-diethylpropanamide (CID 107161572) is 2-(4-carbamothioyl-4-methylpiperidin-1-yl)-N,N-diethylpropanamide.
What is the SMILES notation for 2-(4-carbamothioyl-4-methylpiperidin-1-yl)-N,N-diethylpropanamide?
The canonical SMILES for 2-(4-carbamothioyl-4-methylpiperidin-1-yl)-N,N-diethylpropanamide is CCN(CC)C(=O)C(C)N1CCC(C)(C(N)=S)CC1.
What is the InChIKey of 2-(4-carbamothioyl-4-methylpiperidin-1-yl)-N,N-diethylpropanamide?
The InChIKey is KIERWWDOUWIOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3OS/c1-5-16(6-2)12(18)11(3)17-9-7-14(4,8-10-17)13(15)19/h11H,5-10H2,1-4H3,(H2,15,19).
What are the key properties of 2-(4-carbamothioyl-4-methylpiperidin-1-yl)-N,N-diethylpropanamide?
2-(4-carbamothioyl-4-methylpiperidin-1-yl)-N,N-diethylpropanamide has a molecular weight of 285.46 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamothioyl-4-methylpiperidin-1-yl)-N,N-diethylpropanamide is sourced from PubChem (CID 107161572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).