N-(6-methylsulfanylhexyl)piperidine-4-carboxamide

C13H26N2OS — CID 114125387

IUPACN-(6-methylsulfanylhexyl)piperidine-4-carboxamide
SMILESCSCCCCCCNC(=O)C1CCNCC1
InChIInChI=1S/C13H26N2OS/c1-17-11-5-3-2-4-8-15-13(16)12-6-9-14-10-7-12/h12,14H,2-11H2,1H3,(H,15,16)
InChIKeyWWBRVLVTSHTFRD-UHFFFAOYSA-N
MW258.43 g/mol
LogP2.03
Rot. Bonds8

About N-(6-methylsulfanylhexyl)piperidine-4-carboxamide

N-(6-methylsulfanylhexyl)piperidine-4-carboxamide (PubChem CID 114125387) has the molecular formula C13H26N2OS and a molecular weight of 258.43 g/mol. Its IUPAC name is N-(6-methylsulfanylhexyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(6-methylsulfanylhexyl)piperidine-4-carboxamide
PubChem CID114125387
Molecular FormulaC13H26N2OS
Molecular Weight258.43 g/mol
Exact Mass258.18
IUPAC NameN-(6-methylsulfanylhexyl)piperidine-4-carboxamide
SMILESCSCCCCCCNC(=O)C1CCNCC1
InChIInChI=1S/C13H26N2OS/c1-17-11-5-3-2-4-8-15-13(16)12-6-9-14-10-7-12/h12,14H,2-11H2,1H3,(H,15,16)
InChIKeyWWBRVLVTSHTFRD-UHFFFAOYSA-N
XLogP2.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(6-methylsulfanylhexyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-oxopentyl)piperidine-4-carboxamide
CID 172589492
N-(3-methylsulfanylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119280390
N-[2-[[N'-methyl-N-(4-methylsulfanylbutyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111627763
N-[4-(diethylamino)butyl]piperidine-4-carboxamide;dihydrochloride
CID 119852526
N-[2-(methylamino)ethyl]piperidine-4-carboxamide
CID 118234588
(2R)-N-(4-methylsulfanylbutyl)piperidine-2-carboxamide
CID 103812003
N-(4,4,4-trifluorobutyl)piperidine-4-carboxamide
CID 81433066
N-(3-methylsulfanylbutyl)piperidine-4-carboxamide
CID 115734040
N-tetradecylpyrrolidine-3-carboxamide;hydrochloride
CID 154586688
2-amino-6-(piperidine-4-carbonylamino)hexanoic acid;ethane
CID 177180760
ethane;molecular hydrogen;N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
CID 142349997
N-[4-(diethylamino)-4-oxobutyl]piperidine-4-carboxamide
CID 119291998

Frequently Asked Questions

What is the IUPAC name of N-(6-methylsulfanylhexyl)piperidine-4-carboxamide?
The IUPAC name of N-(6-methylsulfanylhexyl)piperidine-4-carboxamide (CID 114125387) is N-(6-methylsulfanylhexyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(6-methylsulfanylhexyl)piperidine-4-carboxamide?
The canonical SMILES for N-(6-methylsulfanylhexyl)piperidine-4-carboxamide is CSCCCCCCNC(=O)C1CCNCC1.
What is the InChIKey of N-(6-methylsulfanylhexyl)piperidine-4-carboxamide?
The InChIKey is WWBRVLVTSHTFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2OS/c1-17-11-5-3-2-4-8-15-13(16)12-6-9-14-10-7-12/h12,14H,2-11H2,1H3,(H,15,16).
What are the key properties of N-(6-methylsulfanylhexyl)piperidine-4-carboxamide?
N-(6-methylsulfanylhexyl)piperidine-4-carboxamide has a molecular weight of 258.43 g/mol, XLogP of 2.03, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylsulfanylhexyl)piperidine-4-carboxamide is sourced from PubChem (CID 114125387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).