N-(2-carbamothioyl-5-chlorophenyl)piperidine-1-carboxamide

C13H16ClN3OS — CID 79156263

IUPACN-(2-carbamothioyl-5-chlorophenyl)piperidine-1-carboxamide
SMILESNC(=S)c1ccc(Cl)cc1NC(=O)N1CCCCC1
InChIInChI=1S/C13H16ClN3OS/c14-9-4-5-10(12(15)19)11(8-9)16-13(18)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7H2,(H2,15,19)(H,16,18)
InChIKeyCEGWPXPZCLULCW-UHFFFAOYSA-N
MW297.81 g/mol
LogP2.99
Rot. Bonds2

About N-(2-carbamothioyl-5-chlorophenyl)piperidine-1-carboxamide

N-(2-carbamothioyl-5-chlorophenyl)piperidine-1-carboxamide (PubChem CID 79156263) has the molecular formula C13H16ClN3OS and a molecular weight of 297.81 g/mol. Its IUPAC name is N-(2-carbamothioyl-5-chlorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-carbamothioyl-5-chlorophenyl)piperidine-1-carboxamide
PubChem CID79156263
Molecular FormulaC13H16ClN3OS
Molecular Weight297.81 g/mol
Exact Mass297.07
IUPAC NameN-(2-carbamothioyl-5-chlorophenyl)piperidine-1-carboxamide
SMILESNC(=S)c1ccc(Cl)cc1NC(=O)N1CCCCC1
InChIInChI=1S/C13H16ClN3OS/c14-9-4-5-10(12(15)19)11(8-9)16-13(18)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7H2,(H2,15,19)(H,16,18)
InChIKeyCEGWPXPZCLULCW-UHFFFAOYSA-N
XLogP2.99
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(azocane-1-carbonylamino)-4-chlorobenzoic acid
CID 61200042
N-[5-chloro-2-(N'-hydroxycarbamimidoyl)phenyl]pyrrolidine-1-carboxamide
CID 79161056
N-(2-carbamothioyl-5-chlorophenyl)cyclopropanecarboxamide
CID 64916810
N-(2-bromo-4-chlorophenyl)piperidine-1-carboxamide
CID 81272029
N-(5-chloro-2-cyanophenyl)pyrrolidine-1-carboxamide
CID 78954514
4-chloro-2-(2-piperidin-1-ylethylamino)benzenecarbothioamide
CID 63092143
1-(2-carbamothioyl-5-chlorophenyl)-3-cyclopropylurea
CID 64920032
N-(3-bromo-4-carbamothioylphenyl)pyrrolidine-1-carboxamide
CID 112736128
3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide
CID 119283029
3-amino-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119283028
1-tert-butyl-3-(2-carbamothioyl-5-chlorophenyl)urea
CID 64917889
N-(2-carbamothioyl-5-chlorophenyl)pyridazine-4-carboxamide
CID 104670500

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamothioyl-5-chlorophenyl)piperidine-1-carboxamide?
The IUPAC name of N-(2-carbamothioyl-5-chlorophenyl)piperidine-1-carboxamide (CID 79156263) is N-(2-carbamothioyl-5-chlorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-carbamothioyl-5-chlorophenyl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-carbamothioyl-5-chlorophenyl)piperidine-1-carboxamide is NC(=S)c1ccc(Cl)cc1NC(=O)N1CCCCC1.
What is the InChIKey of N-(2-carbamothioyl-5-chlorophenyl)piperidine-1-carboxamide?
The InChIKey is CEGWPXPZCLULCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3OS/c14-9-4-5-10(12(15)19)11(8-9)16-13(18)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7H2,(H2,15,19)(H,16,18).
What are the key properties of N-(2-carbamothioyl-5-chlorophenyl)piperidine-1-carboxamide?
N-(2-carbamothioyl-5-chlorophenyl)piperidine-1-carboxamide has a molecular weight of 297.81 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamothioyl-5-chlorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 79156263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).