2,2-dimethyl-4-(2-propylpiperidin-1-yl)butanethioamide

C14H28N2S — CID 83056160

IUPAC2,2-dimethyl-4-(2-propylpiperidin-1-yl)butanethioamide
SMILESCCCC1CCCCN1CCC(C)(C)C(N)=S
InChIInChI=1S/C14H28N2S/c1-4-7-12-8-5-6-10-16(12)11-9-14(2,3)13(15)17/h12H,4-11H2,1-3H3,(H2,15,17)
InChIKeyJIPCSKSLNPTJNK-UHFFFAOYSA-N
MW256.46 g/mol
LogP3.34
Rot. Bonds6

About 2,2-dimethyl-4-(2-propylpiperidin-1-yl)butanethioamide

2,2-dimethyl-4-(2-propylpiperidin-1-yl)butanethioamide (PubChem CID 83056160) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is 2,2-dimethyl-4-(2-propylpiperidin-1-yl)butanethioamide.

Molecular Properties

Compound Name2,2-dimethyl-4-(2-propylpiperidin-1-yl)butanethioamide
PubChem CID83056160
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC Name2,2-dimethyl-4-(2-propylpiperidin-1-yl)butanethioamide
SMILESCCCC1CCCCN1CCC(C)(C)C(N)=S
InChIInChI=1S/C14H28N2S/c1-4-7-12-8-5-6-10-16(12)11-9-14(2,3)13(15)17/h12H,4-11H2,1-3H3,(H2,15,17)
InChIKeyJIPCSKSLNPTJNK-UHFFFAOYSA-N
XLogP3.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 53.34
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

1-(4-amino-3,3-dimethyl-4-sulfanylidenebutyl)piperidine-2-carboxamide
CID 65249374
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2,2-dimethylbutanethioamide
CID 65247296
2-amino-4-(2-propylpiperidin-1-yl)butanamide
CID 83062448
5,5-dimethyl-1-(2-propylpiperidin-1-yl)hexan-3-amine
CID 113497212
1-(4-amino-3,3-dimethyl-4-sulfanylidenebutyl)pyrrolidine-2-carboxamide
CID 65247183
3-(2-propylpiperidin-1-yl)propan-1-amine
CID 83052825
1-pentyl-2-propylpiperidine
CID 54429991
N'-hydroxy-4-[2-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylbutanimidamide
CID 77062920
2-methyl-2-(propan-2-ylamino)-4-(2-propylpiperidin-1-yl)butanoic acid
CID 83061908
2-propylpiperidine-1-carbothioamide
CID 83053270
4-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylbutan-2-ol
CID 79361314
2,2-dimethyl-3-(2-propylpiperidin-1-yl)propan-1-amine
CID 83056263

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(2-propylpiperidin-1-yl)butanethioamide?
The IUPAC name of 2,2-dimethyl-4-(2-propylpiperidin-1-yl)butanethioamide (CID 83056160) is 2,2-dimethyl-4-(2-propylpiperidin-1-yl)butanethioamide.
What is the SMILES notation for 2,2-dimethyl-4-(2-propylpiperidin-1-yl)butanethioamide?
The canonical SMILES for 2,2-dimethyl-4-(2-propylpiperidin-1-yl)butanethioamide is CCCC1CCCCN1CCC(C)(C)C(N)=S.
What is the InChIKey of 2,2-dimethyl-4-(2-propylpiperidin-1-yl)butanethioamide?
The InChIKey is JIPCSKSLNPTJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-4-7-12-8-5-6-10-16(12)11-9-14(2,3)13(15)17/h12H,4-11H2,1-3H3,(H2,15,17).
What are the key properties of 2,2-dimethyl-4-(2-propylpiperidin-1-yl)butanethioamide?
2,2-dimethyl-4-(2-propylpiperidin-1-yl)butanethioamide has a molecular weight of 256.46 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(2-propylpiperidin-1-yl)butanethioamide is sourced from PubChem (CID 83056160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).