N-(6-methoxy-3-pyridinyl)piperidine-1-carbothioamide

C12H17N3OS — CID 123262554

IUPACN-(6-methoxy-3-pyridinyl)piperidine-1-carbothioamide
SMILESCOc1ccc(NC(=S)N2CCCCC2)cn1
InChIInChI=1S/C12H17N3OS/c1-16-11-6-5-10(9-13-11)14-12(17)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8H2,1H3,(H,14,17)
InChIKeyKBNGSLPSPZTTTH-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.27
Rot. Bonds2

About N-(6-methoxy-3-pyridinyl)piperidine-1-carbothioamide

N-(6-methoxy-3-pyridinyl)piperidine-1-carbothioamide (PubChem CID 123262554) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)piperidine-1-carbothioamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)piperidine-1-carbothioamide
PubChem CID123262554
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC NameN-(6-methoxy-3-pyridinyl)piperidine-1-carbothioamide
SMILESCOc1ccc(NC(=S)N2CCCCC2)cn1
InChIInChI=1S/C12H17N3OS/c1-16-11-6-5-10(9-13-11)14-12(17)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8H2,1H3,(H,14,17)
InChIKeyKBNGSLPSPZTTTH-UHFFFAOYSA-N
XLogP2.27
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.27
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

N-(4-methoxyphenyl)piperidine-1-carbothioamide
CID 883440
(6-methoxy-3-pyridinyl)thiourea
CID 43148919
N-(6-methoxy-3-pyridinyl)-2,3-dimethylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-1'-carbothioamide
CID 123725874
3-(2-chloro-4-fluorophenyl)-N-(6-methoxy-3-pyridinyl)pyrrolidine-1-carbothioamide;ethane
CID 142391793
1-(3,5-dimethylbenzoyl)-N-(6-methoxy-3-pyridinyl)piperidine-3-carboxamide
CID 55787560
(2S)-1-(cyclohexanecarbonyl)-N-(6-methoxy-3-pyridinyl)pyrrolidine-2-carboxamide
CID 51951158
3-(5-fluorobenzimidazol-1-yl)-N-(6-methoxy-3-pyridinyl)azetidine-1-carbothioamide
CID 135178250
N-(4-ethylphenyl)azocane-1-carbothioamide
CID 2545029
1-[(2R)-butan-2-yl]-3-(6-methoxy-3-pyridinyl)thiourea
CID 94841351
1-cycloheptyl-3-(6-methoxy-3-pyridinyl)urea
CID 47139424
ethane;3-(6-fluoro-1,2-benzoxazol-3-yl)-N-(6-methoxy-3-pyridinyl)azetidine-1-carbothioamide;methanamine
CID 142381618
(3S)-N-(4-methoxyphenyl)-3-(pyrrolidine-1-carbonyl)piperidine-1-carbothioamide
CID 1257728

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)piperidine-1-carbothioamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)piperidine-1-carbothioamide (CID 123262554) is N-(6-methoxy-3-pyridinyl)piperidine-1-carbothioamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)piperidine-1-carbothioamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)piperidine-1-carbothioamide is COc1ccc(NC(=S)N2CCCCC2)cn1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)piperidine-1-carbothioamide?
The InChIKey is KBNGSLPSPZTTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c1-16-11-6-5-10(9-13-11)14-12(17)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8H2,1H3,(H,14,17).
What are the key properties of N-(6-methoxy-3-pyridinyl)piperidine-1-carbothioamide?
N-(6-methoxy-3-pyridinyl)piperidine-1-carbothioamide has a molecular weight of 251.35 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-3-pyridinyl)piperidine-1-carbothioamide is sourced from PubChem (CID 123262554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).