N-butyl-2-propylpiperidine-1-carbothioamide

C13H26N2S — CID 104587654

IUPACN-butyl-2-propylpiperidine-1-carbothioamide
SMILESCCCCNC(=S)N1CCCCC1CCC
InChIInChI=1S/C13H26N2S/c1-3-5-10-14-13(16)15-11-7-6-9-12(15)8-4-2/h12H,3-11H2,1-2H3,(H,14,16)
InChIKeyWWEQDQYIGLBJLL-UHFFFAOYSA-N
MW242.43 g/mol
LogP3.32
Rot. Bonds5

About N-butyl-2-propylpiperidine-1-carbothioamide

N-butyl-2-propylpiperidine-1-carbothioamide (PubChem CID 104587654) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is N-butyl-2-propylpiperidine-1-carbothioamide.

Molecular Properties

Compound NameN-butyl-2-propylpiperidine-1-carbothioamide
PubChem CID104587654
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC NameN-butyl-2-propylpiperidine-1-carbothioamide
SMILESCCCCNC(=S)N1CCCCC1CCC
InChIInChI=1S/C13H26N2S/c1-3-5-10-14-13(16)15-11-7-6-9-12(15)8-4-2/h12H,3-11H2,1-2H3,(H,14,16)
InChIKeyWWEQDQYIGLBJLL-UHFFFAOYSA-N
XLogP3.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-ethyl-2-propylpiperidine-1-carbothioamide
CID 104587652
N-butyl-2-methylpiperidine-1-carbothioamide
CID 19653959
N-butyl-2-[(dimethylamino)methyl]pyrrolidine-1-carbothioamide
CID 63402446
N-[3-(dimethylamino)propyl]-2-ethylazepane-1-carbothioamide
CID 112692488
2-[(dimethylamino)methyl]-N-hexylpyrrolidine-1-carbothioamide
CID 55186357
2-propylpiperidine-1-carbothioamide
CID 83053270
N-butyl-3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbothioamide
CID 115633568
(2R)-1-(butylcarbamothioyl)pyrrolidine-2-carboxamide
CID 94171194
N-butylazetidine-1-carbothioamide
CID 115576699
N-butyl-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbothioamide
CID 113224056
N-pentylpyrrolidine-1-carbothioamide
CID 127515670
N-butyl-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide
CID 108941432

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-propylpiperidine-1-carbothioamide?
The IUPAC name of N-butyl-2-propylpiperidine-1-carbothioamide (CID 104587654) is N-butyl-2-propylpiperidine-1-carbothioamide.
What is the SMILES notation for N-butyl-2-propylpiperidine-1-carbothioamide?
The canonical SMILES for N-butyl-2-propylpiperidine-1-carbothioamide is CCCCNC(=S)N1CCCCC1CCC.
What is the InChIKey of N-butyl-2-propylpiperidine-1-carbothioamide?
The InChIKey is WWEQDQYIGLBJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-3-5-10-14-13(16)15-11-7-6-9-12(15)8-4-2/h12H,3-11H2,1-2H3,(H,14,16).
What are the key properties of N-butyl-2-propylpiperidine-1-carbothioamide?
N-butyl-2-propylpiperidine-1-carbothioamide has a molecular weight of 242.43 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-propylpiperidine-1-carbothioamide is sourced from PubChem (CID 104587654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).