N-ethyl-2-propylpiperidine-1-carbothioamide

C11H22N2S — CID 104587652

IUPACN-ethyl-2-propylpiperidine-1-carbothioamide
SMILESCCCC1CCCCN1C(=S)NCC
InChIInChI=1S/C11H22N2S/c1-3-7-10-8-5-6-9-13(10)11(14)12-4-2/h10H,3-9H2,1-2H3,(H,12,14)
InChIKeyFDOBEGHAGGVIBM-UHFFFAOYSA-N
MW214.38 g/mol
LogP2.54
Rot. Bonds3

About N-ethyl-2-propylpiperidine-1-carbothioamide

N-ethyl-2-propylpiperidine-1-carbothioamide (PubChem CID 104587652) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is N-ethyl-2-propylpiperidine-1-carbothioamide.

Molecular Properties

Compound NameN-ethyl-2-propylpiperidine-1-carbothioamide
PubChem CID104587652
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC NameN-ethyl-2-propylpiperidine-1-carbothioamide
SMILESCCCC1CCCCN1C(=S)NCC
InChIInChI=1S/C11H22N2S/c1-3-7-10-8-5-6-9-13(10)11(14)12-4-2/h10H,3-9H2,1-2H3,(H,12,14)
InChIKeyFDOBEGHAGGVIBM-UHFFFAOYSA-N
XLogP2.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-propylpiperidine-1-carbothioamide
CID 104587654
2-propylpiperidine-1-carbothioamide
CID 83053270
3-(ethylamino)-2-methyl-1-(2-propylpiperidin-1-yl)propan-1-one
CID 83052878
2-methyl-2-(methylamino)-1-(2-propylpiperidin-1-yl)propan-1-one
CID 83053483
(2S)-2-ethyl-N-prop-2-enylpiperidine-1-carbothioamide
CID 51529124
2-ethyl-N-methylazepane-1-carbothioamide
CID 115642318
1-(2-propylpiperidin-1-yl)ethanimine
CID 83061487
2-bromo-1-(2-propylpiperidin-1-yl)ethanone
CID 83053246
2-ethyl-N-propan-2-ylpiperidine-1-carbothioamide
CID 19654742
1-(2-propylpiperidin-1-yl)-2-(prop-2-ynylamino)ethanone
CID 83053784
N-cyclohexyl-2-ethylazepane-1-carbothioamide
CID 113441869
N-[3-(dimethylamino)propyl]-2-ethylazepane-1-carbothioamide
CID 112692488

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-propylpiperidine-1-carbothioamide?
The IUPAC name of N-ethyl-2-propylpiperidine-1-carbothioamide (CID 104587652) is N-ethyl-2-propylpiperidine-1-carbothioamide.
What is the SMILES notation for N-ethyl-2-propylpiperidine-1-carbothioamide?
The canonical SMILES for N-ethyl-2-propylpiperidine-1-carbothioamide is CCCC1CCCCN1C(=S)NCC.
What is the InChIKey of N-ethyl-2-propylpiperidine-1-carbothioamide?
The InChIKey is FDOBEGHAGGVIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-3-7-10-8-5-6-9-13(10)11(14)12-4-2/h10H,3-9H2,1-2H3,(H,12,14).
What are the key properties of N-ethyl-2-propylpiperidine-1-carbothioamide?
N-ethyl-2-propylpiperidine-1-carbothioamide has a molecular weight of 214.38 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-propylpiperidine-1-carbothioamide is sourced from PubChem (CID 104587652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).