N-(5-oxohexyl)piperidine-1-carbothioamide

C12H22N2OS — CID 88559676

IUPACN-(5-oxohexyl)piperidine-1-carbothioamide
SMILESCC(=O)CCCCNC(=S)N1CCCCC1
InChIInChI=1S/C12H22N2OS/c1-11(15)7-3-4-8-13-12(16)14-9-5-2-6-10-14/h2-10H2,1H3,(H,13,16)
InChIKeyNENUKWIUELKCIA-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.11
Rot. Bonds5

About N-(5-oxohexyl)piperidine-1-carbothioamide

N-(5-oxohexyl)piperidine-1-carbothioamide (PubChem CID 88559676) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is N-(5-oxohexyl)piperidine-1-carbothioamide.

Molecular Properties

Compound NameN-(5-oxohexyl)piperidine-1-carbothioamide
PubChem CID88559676
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-(5-oxohexyl)piperidine-1-carbothioamide
SMILESCC(=O)CCCCNC(=S)N1CCCCC1
InChIInChI=1S/C12H22N2OS/c1-11(15)7-3-4-8-13-12(16)14-9-5-2-6-10-14/h2-10H2,1H3,(H,13,16)
InChIKeyNENUKWIUELKCIA-UHFFFAOYSA-N
XLogP2.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-pentylpyrrolidine-1-carbothioamide
CID 127515670
1,3-bis(5-oxohexyl)thiourea
CID 56598326
N-(3-methylsulfanylpropyl)azepane-1-carbothioamide
CID 43384650
N-propylazepane-1-carbothioamide
CID 19654131
N-butylazetidine-1-carbothioamide
CID 115576699
methyl 1-(6-acetamidohexanoyl)piperidine-3-carboxylate
CID 78918849
methyl 6-(azepane-1-carbonylamino)hexanoate
CID 113224252
N-(8-oxononyl)acetamide
CID 58114719
N-(2-oxopropyl)azepane-1-carboxamide
CID 79152815
tert-butyl N-(5-oxo-5-pyrrolidin-1-ylpentyl)carbamate
CID 22027804
N-(3-morpholin-4-ylpropyl)azepane-1-carbothioamide
CID 43384645
1,12-bis(azonan-1-yl)dodecane-1,12-dione
CID 20752244

Frequently Asked Questions

What is the IUPAC name of N-(5-oxohexyl)piperidine-1-carbothioamide?
The IUPAC name of N-(5-oxohexyl)piperidine-1-carbothioamide (CID 88559676) is N-(5-oxohexyl)piperidine-1-carbothioamide.
What is the SMILES notation for N-(5-oxohexyl)piperidine-1-carbothioamide?
The canonical SMILES for N-(5-oxohexyl)piperidine-1-carbothioamide is CC(=O)CCCCNC(=S)N1CCCCC1.
What is the InChIKey of N-(5-oxohexyl)piperidine-1-carbothioamide?
The InChIKey is NENUKWIUELKCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-11(15)7-3-4-8-13-12(16)14-9-5-2-6-10-14/h2-10H2,1H3,(H,13,16).
What are the key properties of N-(5-oxohexyl)piperidine-1-carbothioamide?
N-(5-oxohexyl)piperidine-1-carbothioamide has a molecular weight of 242.39 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxohexyl)piperidine-1-carbothioamide is sourced from PubChem (CID 88559676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).