2-propylpiperidine-1-carbothioamide

C9H18N2S — CID 83053270

IUPAC2-propylpiperidine-1-carbothioamide
SMILESCCCC1CCCCN1C(N)=S
InChIInChI=1S/C9H18N2S/c1-2-5-8-6-3-4-7-11(8)9(10)12/h8H,2-7H2,1H3,(H2,10,12)
InChIKeyGEHFISIIIDOBSS-UHFFFAOYSA-N
MW186.32 g/mol
LogP1.88
Rot. Bonds2

About 2-propylpiperidine-1-carbothioamide

2-propylpiperidine-1-carbothioamide (PubChem CID 83053270) has the molecular formula C9H18N2S and a molecular weight of 186.32 g/mol. Its IUPAC name is 2-propylpiperidine-1-carbothioamide.

Molecular Properties

Compound Name2-propylpiperidine-1-carbothioamide
PubChem CID83053270
Molecular FormulaC9H18N2S
Molecular Weight186.32 g/mol
Exact Mass186.12
IUPAC Name2-propylpiperidine-1-carbothioamide
SMILESCCCC1CCCCN1C(N)=S
InChIInChI=1S/C9H18N2S/c1-2-5-8-6-3-4-7-11(8)9(10)12/h8H,2-7H2,1H3,(H2,10,12)
InChIKeyGEHFISIIIDOBSS-UHFFFAOYSA-N
XLogP1.88
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 51.88
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-ethyl-2-propylpiperidine-1-carbothioamide
CID 104587652
2-methyl-2-(2-propylpiperidine-1-carbonyl)butanethioamide
CID 83055527
N-butyl-2-propylpiperidine-1-carbothioamide
CID 104587654
N'-methyl-2-propylpyrrolidine-1-carboximidamide
CID 131197347
2-amino-2-methyl-1-(2-propylpiperidin-1-yl)propan-1-one
CID 83053484
2-(2-aminocyclohexyl)-1-(2-propylpiperidin-1-yl)ethanone
CID 83061947
2-bromo-1-(2-propylpiperidin-1-yl)ethanone
CID 83053246
2-(nitrosomethyl)azepane-1-carbothioamide
CID 89049391
1-(2-propylpiperidin-1-yl)ethanimine
CID 83061487
2-methyl-2-(methylamino)-1-(2-propylpiperidin-1-yl)propan-1-one
CID 83053483
(2,4-diaminophenyl)-(2-propylpiperidin-1-yl)methanone
CID 83052111
2-amino-2-cyclopropyl-1-(2-propylpiperidin-1-yl)propan-1-one
CID 83053178

Frequently Asked Questions

What is the IUPAC name of 2-propylpiperidine-1-carbothioamide?
The IUPAC name of 2-propylpiperidine-1-carbothioamide (CID 83053270) is 2-propylpiperidine-1-carbothioamide.
What is the SMILES notation for 2-propylpiperidine-1-carbothioamide?
The canonical SMILES for 2-propylpiperidine-1-carbothioamide is CCCC1CCCCN1C(N)=S.
What is the InChIKey of 2-propylpiperidine-1-carbothioamide?
The InChIKey is GEHFISIIIDOBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2S/c1-2-5-8-6-3-4-7-11(8)9(10)12/h8H,2-7H2,1H3,(H2,10,12).
What are the key properties of 2-propylpiperidine-1-carbothioamide?
2-propylpiperidine-1-carbothioamide has a molecular weight of 186.32 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylpiperidine-1-carbothioamide is sourced from PubChem (CID 83053270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).