N-(3-butylsulfanylpropyl)-1-methylpiperidine-4-carboxamide

C14H28N2OS — CID 70985641

IUPACN-(3-butylsulfanylpropyl)-1-methylpiperidine-4-carboxamide
SMILESCCCCSCCCNC(=O)C1CCN(C)CC1
InChIInChI=1S/C14H28N2OS/c1-3-4-11-18-12-5-8-15-14(17)13-6-9-16(2)10-7-13/h13H,3-12H2,1-2H3,(H,15,17)
InChIKeyOGHVZDSXAAJXPG-UHFFFAOYSA-N
MW272.46 g/mol
LogP2.37
Rot. Bonds8

About N-(3-butylsulfanylpropyl)-1-methylpiperidine-4-carboxamide

N-(3-butylsulfanylpropyl)-1-methylpiperidine-4-carboxamide (PubChem CID 70985641) has the molecular formula C14H28N2OS and a molecular weight of 272.46 g/mol. Its IUPAC name is N-(3-butylsulfanylpropyl)-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-butylsulfanylpropyl)-1-methylpiperidine-4-carboxamide
PubChem CID70985641
Molecular FormulaC14H28N2OS
Molecular Weight272.46 g/mol
Exact Mass272.19
IUPAC NameN-(3-butylsulfanylpropyl)-1-methylpiperidine-4-carboxamide
SMILESCCCCSCCCNC(=O)C1CCN(C)CC1
InChIInChI=1S/C14H28N2OS/c1-3-4-11-18-12-5-8-15-14(17)13-6-9-16(2)10-7-13/h13H,3-12H2,1-2H3,(H,15,17)
InChIKeyOGHVZDSXAAJXPG-UHFFFAOYSA-N
XLogP2.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-butylsulfanylpropyl)-1-methylpiperidine-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

3-Thiomorpholinone, 2,2-diethyl-
CID 95099
1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxamide
CID 155289205
(2S)-2-amino-3-methyl-1-thiomorpholin-4-ylpentan-1-one
CID 61174564
1-{2-[(Diethylamino)thioxomethylthio]acetyl}piperidine-4-carboxamide
CID 1863658
1-(2-(cyclopentylthio)acetyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 49676883
2-Piperidin-4-yl-1-(1,4-thiazepan-4-yl)ethanone
CID 61419530
N-cyclopropyl-1-(3-methylsulfanylpropyl)piperidine-4-carboxamide
CID 71873713
N-methyl-2-[1-[(1-methylsulfanylcyclobutyl)methyl]piperidin-4-yl]acetamide
CID 100625581
Sdccgsbi-0107791.P001
CID 28356623
1-acetyl-N-[2-(trifluoromethylsulfanyl)ethyl]piperidine-4-carboxamide
CID 47042761
2-methyl-3-methylsulfanyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide
CID 71983925
(2R)-2-methyl-3-methylsulfanyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]propanamide
CID 95933849

Frequently Asked Questions

What is the IUPAC name of N-(3-butylsulfanylpropyl)-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-(3-butylsulfanylpropyl)-1-methylpiperidine-4-carboxamide (CID 70985641) is N-(3-butylsulfanylpropyl)-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-(3-butylsulfanylpropyl)-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-(3-butylsulfanylpropyl)-1-methylpiperidine-4-carboxamide is CCCCSCCCNC(=O)C1CCN(C)CC1.
What is the InChIKey of N-(3-butylsulfanylpropyl)-1-methylpiperidine-4-carboxamide?
The InChIKey is OGHVZDSXAAJXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2OS/c1-3-4-11-18-12-5-8-15-14(17)13-6-9-16(2)10-7-13/h13H,3-12H2,1-2H3,(H,15,17).
What are the key properties of N-(3-butylsulfanylpropyl)-1-methylpiperidine-4-carboxamide?
N-(3-butylsulfanylpropyl)-1-methylpiperidine-4-carboxamide has a molecular weight of 272.46 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butylsulfanylpropyl)-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 70985641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).