3-carbamothioyl-N-methyl-N-(1-methylpiperidin-3-yl)benzamide

C15H21N3OS — CID 62547513

IUPAC3-carbamothioyl-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
SMILESCN1CCCC(N(C)C(=O)c2cccc(C(N)=S)c2)C1
InChIInChI=1S/C15H21N3OS/c1-17-8-4-7-13(10-17)18(2)15(19)12-6-3-5-11(9-12)14(16)20/h3,5-6,9,13H,4,7-8,10H2,1-2H3,(H2,16,20)
InChIKeyUGTYIMUDHRWFJM-UHFFFAOYSA-N
MW291.42 g/mol
LogP1.49
Rot. Bonds3

About 3-carbamothioyl-N-methyl-N-(1-methylpiperidin-3-yl)benzamide

3-carbamothioyl-N-methyl-N-(1-methylpiperidin-3-yl)benzamide (PubChem CID 62547513) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 3-carbamothioyl-N-methyl-N-(1-methylpiperidin-3-yl)benzamide.

Molecular Properties

Compound Name3-carbamothioyl-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
PubChem CID62547513
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name3-carbamothioyl-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
SMILESCN1CCCC(N(C)C(=O)c2cccc(C(N)=S)c2)C1
InChIInChI=1S/C15H21N3OS/c1-17-8-4-7-13(10-17)18(2)15(19)12-6-3-5-11(9-12)14(16)20/h3,5-6,9,13H,4,7-8,10H2,1-2H3,(H2,16,20)
InChIKeyUGTYIMUDHRWFJM-UHFFFAOYSA-N
XLogP1.49
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-carbamothioyl-N-cyclopropyl-N-methylbenzamide
CID 43265122
4-bromo-3-hydroxy-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 103873474
3-[2-[methyl-(1-methylpiperidin-3-yl)amino]ethoxy]benzenecarbothioamide
CID 62545353
4-bromo-3-fluoro-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 62546980
4-amino-N-methyl-N-(1-methylpiperidin-3-yl)-3-nitrobenzamide
CID 62540889
6-[methyl-(1-methylpiperidin-3-yl)carbamoyl]pyridine-2-carboxylic acid
CID 62546139
3-bromo-4-[methyl-(1-methylpiperidin-3-yl)amino]benzenecarbothioamide
CID 82804752
1-methyl-1-(1-methylpiperidin-3-yl)urea
CID 62546065
4-[[(2R)-2-aminopropanoyl]amino]-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 119890915
3-(2-amino-2-sulfanylideneethyl)-N-cyclohexyl-N-methylbenzamide
CID 82179274
4-[(1-aminocyclopropanecarbonyl)amino]-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 119890887
3-amino-N,2,2-trimethyl-N-(1-methylpiperidin-3-yl)-3-sulfanylidenepropanamide
CID 55084851

Frequently Asked Questions

What is the IUPAC name of 3-carbamothioyl-N-methyl-N-(1-methylpiperidin-3-yl)benzamide?
The IUPAC name of 3-carbamothioyl-N-methyl-N-(1-methylpiperidin-3-yl)benzamide (CID 62547513) is 3-carbamothioyl-N-methyl-N-(1-methylpiperidin-3-yl)benzamide.
What is the SMILES notation for 3-carbamothioyl-N-methyl-N-(1-methylpiperidin-3-yl)benzamide?
The canonical SMILES for 3-carbamothioyl-N-methyl-N-(1-methylpiperidin-3-yl)benzamide is CN1CCCC(N(C)C(=O)c2cccc(C(N)=S)c2)C1.
What is the InChIKey of 3-carbamothioyl-N-methyl-N-(1-methylpiperidin-3-yl)benzamide?
The InChIKey is UGTYIMUDHRWFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-17-8-4-7-13(10-17)18(2)15(19)12-6-3-5-11(9-12)14(16)20/h3,5-6,9,13H,4,7-8,10H2,1-2H3,(H2,16,20).
What are the key properties of 3-carbamothioyl-N-methyl-N-(1-methylpiperidin-3-yl)benzamide?
3-carbamothioyl-N-methyl-N-(1-methylpiperidin-3-yl)benzamide has a molecular weight of 291.42 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbamothioyl-N-methyl-N-(1-methylpiperidin-3-yl)benzamide is sourced from PubChem (CID 62547513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).