2-methyl-2-(4-propylpiperidine-1-carbonyl)butanethioamide

C14H26N2OS — CID 113270623

IUPAC2-methyl-2-(4-propylpiperidine-1-carbonyl)butanethioamide
SMILESCCCC1CCN(C(=O)C(C)(CC)C(N)=S)CC1
InChIInChI=1S/C14H26N2OS/c1-4-6-11-7-9-16(10-8-11)13(17)14(3,5-2)12(15)18/h11H,4-10H2,1-3H3,(H2,15,18)
InChIKeyJNZJPMYXVUGAMF-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.73
Rot. Bonds5

About 2-methyl-2-(4-propylpiperidine-1-carbonyl)butanethioamide

2-methyl-2-(4-propylpiperidine-1-carbonyl)butanethioamide (PubChem CID 113270623) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 2-methyl-2-(4-propylpiperidine-1-carbonyl)butanethioamide.

Molecular Properties

Compound Name2-methyl-2-(4-propylpiperidine-1-carbonyl)butanethioamide
PubChem CID113270623
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name2-methyl-2-(4-propylpiperidine-1-carbonyl)butanethioamide
SMILESCCCC1CCN(C(=O)C(C)(CC)C(N)=S)CC1
InChIInChI=1S/C14H26N2OS/c1-4-6-11-7-9-16(10-8-11)13(17)14(3,5-2)12(15)18/h11H,4-10H2,1-3H3,(H2,15,18)
InChIKeyJNZJPMYXVUGAMF-UHFFFAOYSA-N
XLogP2.73
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-acetylpiperazine-1-carbonyl)-2-methylbutanethioamide
CID 113270456
2-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-methylbutanethioamide
CID 114292277
2-methyl-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)butanethioamide
CID 114292403
2-methyl-2-(1-oxo-1,4-thiazinane-4-carbonyl)butanethioamide
CID 114292103
2-methyl-2-(2-propylpiperidine-1-carbonyl)butanethioamide
CID 83055527
2-amino-2-cyclopropyl-1-(4-propylpiperidin-1-yl)propan-1-one
CID 55050370
2-methyl-2-(1,4-oxazepane-4-carbonyl)butanethioamide
CID 114292257
2-carbamothioyl-2-methyl-N-(4-propylcyclohexyl)butanamide
CID 114292084
3-chloro-2,2-dimethyl-1-(4-propylpiperidin-1-yl)propan-1-one
CID 63666746
2-methoxy-2-methyl-1-(4-propylpiperidin-1-yl)propan-1-one
CID 103720323
ethane;methanamine;1-(4-propylpiperidin-1-yl)ethanone
CID 166152008
1-(4-propylpiperidine-1-carbonyl)cyclopentane-1-carbothioamide
CID 62205619

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-propylpiperidine-1-carbonyl)butanethioamide?
The IUPAC name of 2-methyl-2-(4-propylpiperidine-1-carbonyl)butanethioamide (CID 113270623) is 2-methyl-2-(4-propylpiperidine-1-carbonyl)butanethioamide.
What is the SMILES notation for 2-methyl-2-(4-propylpiperidine-1-carbonyl)butanethioamide?
The canonical SMILES for 2-methyl-2-(4-propylpiperidine-1-carbonyl)butanethioamide is CCCC1CCN(C(=O)C(C)(CC)C(N)=S)CC1.
What is the InChIKey of 2-methyl-2-(4-propylpiperidine-1-carbonyl)butanethioamide?
The InChIKey is JNZJPMYXVUGAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-4-6-11-7-9-16(10-8-11)13(17)14(3,5-2)12(15)18/h11H,4-10H2,1-3H3,(H2,15,18).
What are the key properties of 2-methyl-2-(4-propylpiperidine-1-carbonyl)butanethioamide?
2-methyl-2-(4-propylpiperidine-1-carbonyl)butanethioamide has a molecular weight of 270.44 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-propylpiperidine-1-carbonyl)butanethioamide is sourced from PubChem (CID 113270623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).