2-(2,4-dimethylpiperidine-1-carbonyl)-2-propylpentanethioamide

C16H30N2OS — CID 62331429

IUPAC2-(2,4-dimethylpiperidine-1-carbonyl)-2-propylpentanethioamide
SMILESCCCC(CCC)(C(=O)N1CCC(C)CC1C)C(N)=S
InChIInChI=1S/C16H30N2OS/c1-5-8-16(9-6-2,14(17)20)15(19)18-10-7-12(3)11-13(18)4/h12-13H,5-11H2,1-4H3,(H2,17,20)
InChIKeyFLVZCQYUNGTYKW-UHFFFAOYSA-N
MW298.50 g/mol
LogP3.51
Rot. Bonds6

About 2-(2,4-dimethylpiperidine-1-carbonyl)-2-propylpentanethioamide

2-(2,4-dimethylpiperidine-1-carbonyl)-2-propylpentanethioamide (PubChem CID 62331429) has the molecular formula C16H30N2OS and a molecular weight of 298.50 g/mol. Its IUPAC name is 2-(2,4-dimethylpiperidine-1-carbonyl)-2-propylpentanethioamide.

Molecular Properties

Compound Name2-(2,4-dimethylpiperidine-1-carbonyl)-2-propylpentanethioamide
PubChem CID62331429
Molecular FormulaC16H30N2OS
Molecular Weight298.50 g/mol
Exact Mass298.21
IUPAC Name2-(2,4-dimethylpiperidine-1-carbonyl)-2-propylpentanethioamide
SMILESCCCC(CCC)(C(=O)N1CCC(C)CC1C)C(N)=S
InChIInChI=1S/C16H30N2OS/c1-5-8-16(9-6-2,14(17)20)15(19)18-10-7-12(3)11-13(18)4/h12-13H,5-11H2,1-4H3,(H2,17,20)
InChIKeyFLVZCQYUNGTYKW-UHFFFAOYSA-N
XLogP3.51
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 53.51
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-(aminomethyl)-1-(2,4-dimethylpiperidin-1-yl)-2-methylbutan-1-one
CID 114290621
2-(2,4-dimethylpiperidine-1-carbonyl)-2-ethylbutanenitrile
CID 62329830
2-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-propylpentanethioamide
CID 63513942
3-(2,4-dimethylpiperidin-1-yl)-2-methyl-3-oxopropanethioamide
CID 62331621
2-(2-ethyl-3-oxopiperazine-1-carbonyl)-2-propylpentanethioamide
CID 63604392
1-(2,4-dimethylpiperidine-1-carbonyl)cyclopropane-1-carbothioamide
CID 80589082
(2R)-2-amino-1-(2,4-dimethylpiperidin-1-yl)pentan-1-one
CID 103796187
2-(2,4-dimethylpiperidine-1-carbonyl)-N'-hydroxypentanimidamide
CID 76939929
2-carbamothioyl-N-(2,6-dimethylpiperidin-1-yl)-2-propylpentanamide
CID 83017266
2,4-dimethyl-N-propylpiperidine-1-carboxamide
CID 115644943
(2S)-2-amino-1-(2,4-dimethylpiperidin-1-yl)butan-1-one
CID 79023304
1-(2-amino-2-methylpentanoyl)-4-methylpiperidine-2-carboxylic acid
CID 114424749

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpiperidine-1-carbonyl)-2-propylpentanethioamide?
The IUPAC name of 2-(2,4-dimethylpiperidine-1-carbonyl)-2-propylpentanethioamide (CID 62331429) is 2-(2,4-dimethylpiperidine-1-carbonyl)-2-propylpentanethioamide.
What is the SMILES notation for 2-(2,4-dimethylpiperidine-1-carbonyl)-2-propylpentanethioamide?
The canonical SMILES for 2-(2,4-dimethylpiperidine-1-carbonyl)-2-propylpentanethioamide is CCCC(CCC)(C(=O)N1CCC(C)CC1C)C(N)=S.
What is the InChIKey of 2-(2,4-dimethylpiperidine-1-carbonyl)-2-propylpentanethioamide?
The InChIKey is FLVZCQYUNGTYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2OS/c1-5-8-16(9-6-2,14(17)20)15(19)18-10-7-12(3)11-13(18)4/h12-13H,5-11H2,1-4H3,(H2,17,20).
What are the key properties of 2-(2,4-dimethylpiperidine-1-carbonyl)-2-propylpentanethioamide?
2-(2,4-dimethylpiperidine-1-carbonyl)-2-propylpentanethioamide has a molecular weight of 298.50 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpiperidine-1-carbonyl)-2-propylpentanethioamide is sourced from PubChem (CID 62331429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).