N-(4-carbamothioyl-1-methylpiperidin-4-yl)-2-chloro-4-methylbenzamide

C15H20ClN3OS — CID 106861279

IUPACN-(4-carbamothioyl-1-methylpiperidin-4-yl)-2-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2(C(N)=S)CCN(C)CC2)c(Cl)c1
InChIInChI=1S/C15H20ClN3OS/c1-10-3-4-11(12(16)9-10)13(20)18-15(14(17)21)5-7-19(2)8-6-15/h3-4,9H,5-8H2,1-2H3,(H2,17,21)(H,18,20)
InChIKeyOJAMLTSJEBOQCJ-UHFFFAOYSA-N
MW325.87 g/mol
LogP2.13
Rot. Bonds3

About N-(4-carbamothioyl-1-methylpiperidin-4-yl)-2-chloro-4-methylbenzamide

N-(4-carbamothioyl-1-methylpiperidin-4-yl)-2-chloro-4-methylbenzamide (PubChem CID 106861279) has the molecular formula C15H20ClN3OS and a molecular weight of 325.87 g/mol. Its IUPAC name is N-(4-carbamothioyl-1-methylpiperidin-4-yl)-2-chloro-4-methylbenzamide.

Molecular Properties

Compound NameN-(4-carbamothioyl-1-methylpiperidin-4-yl)-2-chloro-4-methylbenzamide
PubChem CID106861279
Molecular FormulaC15H20ClN3OS
Molecular Weight325.87 g/mol
Exact Mass325.10
IUPAC NameN-(4-carbamothioyl-1-methylpiperidin-4-yl)-2-chloro-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2(C(N)=S)CCN(C)CC2)c(Cl)c1
InChIInChI=1S/C15H20ClN3OS/c1-10-3-4-11(12(16)9-10)13(20)18-15(14(17)21)5-7-19(2)8-6-15/h3-4,9H,5-8H2,1-2H3,(H2,17,21)(H,18,20)
InChIKeyOJAMLTSJEBOQCJ-UHFFFAOYSA-N
XLogP2.13
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.87
LogP ≤ 52.13
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

N-(4-carbamothioyl-1-methylpiperidin-4-yl)-2,3-dichlorobenzamide
CID 61123543
N-(4-carbamothioyl-1-methylpiperidin-4-yl)-3-chloro-4-iodobenzamide
CID 103220766
4-bromo-N-(1-carbamothioylcyclopentyl)-2-chlorobenzamide
CID 61118936
N-(4-carbamothioyl-1-methylpiperidin-4-yl)-3-hydroxypyridine-4-carboxamide
CID 81446516
N-(1-carbamothioylcyclohexyl)-2,4-dimethylbenzamide
CID 61118946
N-(1-carbamothioylcyclohexyl)-2-hydroxy-4-methylbenzamide
CID 61120929
2,5-dibromo-N-(4-carbamothioyl-1-methylpiperidin-4-yl)thiophene-3-carboxamide
CID 107961722
N-(4-carbamothioyl-1-methylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 62388542
N-(4-carbamothioyl-1-methylpiperidin-4-yl)-6-methylpyridine-3-carboxamide
CID 61122944
N-(1-carbamothioylcycloheptyl)-2-hydroxy-5-methylbenzamide
CID 61119175
5-bromo-N-(4-carbamothioyl-1-methylpiperidin-4-yl)furan-2-carboxamide
CID 61122940
N-(4-carbamothioyl-1-methylpiperidin-4-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66126538

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamothioyl-1-methylpiperidin-4-yl)-2-chloro-4-methylbenzamide?
The IUPAC name of N-(4-carbamothioyl-1-methylpiperidin-4-yl)-2-chloro-4-methylbenzamide (CID 106861279) is N-(4-carbamothioyl-1-methylpiperidin-4-yl)-2-chloro-4-methylbenzamide.
What is the SMILES notation for N-(4-carbamothioyl-1-methylpiperidin-4-yl)-2-chloro-4-methylbenzamide?
The canonical SMILES for N-(4-carbamothioyl-1-methylpiperidin-4-yl)-2-chloro-4-methylbenzamide is Cc1ccc(C(=O)NC2(C(N)=S)CCN(C)CC2)c(Cl)c1.
What is the InChIKey of N-(4-carbamothioyl-1-methylpiperidin-4-yl)-2-chloro-4-methylbenzamide?
The InChIKey is OJAMLTSJEBOQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3OS/c1-10-3-4-11(12(16)9-10)13(20)18-15(14(17)21)5-7-19(2)8-6-15/h3-4,9H,5-8H2,1-2H3,(H2,17,21)(H,18,20).
What are the key properties of N-(4-carbamothioyl-1-methylpiperidin-4-yl)-2-chloro-4-methylbenzamide?
N-(4-carbamothioyl-1-methylpiperidin-4-yl)-2-chloro-4-methylbenzamide has a molecular weight of 325.87 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamothioyl-1-methylpiperidin-4-yl)-2-chloro-4-methylbenzamide is sourced from PubChem (CID 106861279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).