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

C14H26N2OS — CID 83055527

IUPAC2-methyl-2-(2-propylpiperidine-1-carbonyl)butanethioamide
SMILESCCCC1CCCCN1C(=O)C(C)(CC)C(N)=S
InChIInChI=1S/C14H26N2OS/c1-4-8-11-9-6-7-10-16(11)13(17)14(3,5-2)12(15)18/h11H,4-10H2,1-3H3,(H2,15,18)
InChIKeyKUOBVQMVMWJSEN-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.87
Rot. Bonds5

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

2-methyl-2-(2-propylpiperidine-1-carbonyl)butanethioamide (PubChem CID 83055527) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 2-methyl-2-(2-propylpiperidine-1-carbonyl)butanethioamide.

Molecular Properties

Compound Name2-methyl-2-(2-propylpiperidine-1-carbonyl)butanethioamide
PubChem CID83055527
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name2-methyl-2-(2-propylpiperidine-1-carbonyl)butanethioamide
SMILESCCCC1CCCCN1C(=O)C(C)(CC)C(N)=S
InChIInChI=1S/C14H26N2OS/c1-4-8-11-9-6-7-10-16(11)13(17)14(3,5-2)12(15)18/h11H,4-10H2,1-3H3,(H2,15,18)
InChIKeyKUOBVQMVMWJSEN-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
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-amino-2-methyl-1-(2-propylpiperidin-1-yl)propan-1-one
CID 83053484
2-methyl-2-(methylamino)-1-(2-propylpiperidin-1-yl)propan-1-one
CID 83053483
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-2-methylbutanethioamide
CID 102726414
2-amino-2-cyclopropyl-1-(2-propylpiperidin-1-yl)propan-1-one
CID 83053178
2-amino-2-methyl-1-(2-propylpiperidin-1-yl)pentan-1-one
CID 83052965
2-propylpiperidine-1-carbothioamide
CID 83053270
2-methyl-2-(4-propylpiperidine-1-carbonyl)butanethioamide
CID 113270623
2-methyl-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl)butanethioamide
CID 114292422
1-[2-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylbutan-1-one
CID 63755560
tert-butyl 2-propylpiperidine-1-carboxylate
CID 22620198
N'-hydroxy-2-methyl-2-(2-methylpiperidine-1-carbonyl)butanimidamide
CID 114292490
2-(2-aminocyclohexyl)-1-(2-propylpiperidin-1-yl)ethanone
CID 83061947

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-propylpiperidine-1-carbonyl)butanethioamide?
The IUPAC name of 2-methyl-2-(2-propylpiperidine-1-carbonyl)butanethioamide (CID 83055527) is 2-methyl-2-(2-propylpiperidine-1-carbonyl)butanethioamide.
What is the SMILES notation for 2-methyl-2-(2-propylpiperidine-1-carbonyl)butanethioamide?
The canonical SMILES for 2-methyl-2-(2-propylpiperidine-1-carbonyl)butanethioamide is CCCC1CCCCN1C(=O)C(C)(CC)C(N)=S.
What is the InChIKey of 2-methyl-2-(2-propylpiperidine-1-carbonyl)butanethioamide?
The InChIKey is KUOBVQMVMWJSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-4-8-11-9-6-7-10-16(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-(2-propylpiperidine-1-carbonyl)butanethioamide?
2-methyl-2-(2-propylpiperidine-1-carbonyl)butanethioamide has a molecular weight of 270.44 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-propylpiperidine-1-carbonyl)butanethioamide is sourced from PubChem (CID 83055527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).