2-(2,2-dimethylpyrrolidine-1-carbonyl)-2-propylpentanethioamide

C15H28N2OS — CID 63217370

IUPAC2-(2,2-dimethylpyrrolidine-1-carbonyl)-2-propylpentanethioamide
SMILESCCCC(CCC)(C(=O)N1CCCC1(C)C)C(N)=S
InChIInChI=1S/C15H28N2OS/c1-5-8-15(9-6-2,12(16)19)13(18)17-11-7-10-14(17,3)4/h5-11H2,1-4H3,(H2,16,19)
InChIKeyFAIWAEAHNXZOOE-UHFFFAOYSA-N
MW284.47 g/mol
LogP3.26
Rot. Bonds6

About 2-(2,2-dimethylpyrrolidine-1-carbonyl)-2-propylpentanethioamide

2-(2,2-dimethylpyrrolidine-1-carbonyl)-2-propylpentanethioamide (PubChem CID 63217370) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is 2-(2,2-dimethylpyrrolidine-1-carbonyl)-2-propylpentanethioamide.

Molecular Properties

Compound Name2-(2,2-dimethylpyrrolidine-1-carbonyl)-2-propylpentanethioamide
PubChem CID63217370
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC Name2-(2,2-dimethylpyrrolidine-1-carbonyl)-2-propylpentanethioamide
SMILESCCCC(CCC)(C(=O)N1CCCC1(C)C)C(N)=S
InChIInChI=1S/C15H28N2OS/c1-5-8-15(9-6-2,12(16)19)13(18)17-11-7-10-14(17,3)4/h5-11H2,1-4H3,(H2,16,19)
InChIKeyFAIWAEAHNXZOOE-UHFFFAOYSA-N
XLogP3.26
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.26
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-hydroxy-4-methylpiperidine-1-carbonyl)-2-propylpentanethioamide
CID 81115738
1-(2,2-dimethylpyrrolidin-1-yl)-2,2,2-trifluoroethanone;propan-1-ol
CID 156639117
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-2-propylpentanethioamide
CID 115559919
1-(2,2-dimethylpiperidin-1-yl)-2,2-dimethylpropan-1-one
CID 126750038
2-(2,4-dimethylpiperidine-1-carbonyl)-2-propylpentanethioamide
CID 62331429
2-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-propylpentanethioamide
CID 63513942
2-(4-aminophenyl)-1-(2,2-dimethylpyrrolidin-1-yl)-2-methylpropan-1-one
CID 80556937
(2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)butan-1-one
CID 79022697
(2S)-2-amino-1-(2,2-dimethylpyrrolidin-1-yl)hexan-1-one
CID 103831681
2-(tert-butylamino)-1-(2,2-dimethylpyrrolidin-1-yl)ethanone
CID 78925727
5-(2,2-dimethylpyrrolidin-1-yl)-3,3-dimethyl-5-oxopentanoic acid
CID 63219934
2-carbamothioyl-N-[[1-(dimethylamino)cyclobutyl]methyl]-2-propylpentanamide
CID 105418004

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpyrrolidine-1-carbonyl)-2-propylpentanethioamide?
The IUPAC name of 2-(2,2-dimethylpyrrolidine-1-carbonyl)-2-propylpentanethioamide (CID 63217370) is 2-(2,2-dimethylpyrrolidine-1-carbonyl)-2-propylpentanethioamide.
What is the SMILES notation for 2-(2,2-dimethylpyrrolidine-1-carbonyl)-2-propylpentanethioamide?
The canonical SMILES for 2-(2,2-dimethylpyrrolidine-1-carbonyl)-2-propylpentanethioamide is CCCC(CCC)(C(=O)N1CCCC1(C)C)C(N)=S.
What is the InChIKey of 2-(2,2-dimethylpyrrolidine-1-carbonyl)-2-propylpentanethioamide?
The InChIKey is FAIWAEAHNXZOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-5-8-15(9-6-2,12(16)19)13(18)17-11-7-10-14(17,3)4/h5-11H2,1-4H3,(H2,16,19).
What are the key properties of 2-(2,2-dimethylpyrrolidine-1-carbonyl)-2-propylpentanethioamide?
2-(2,2-dimethylpyrrolidine-1-carbonyl)-2-propylpentanethioamide has a molecular weight of 284.47 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpyrrolidine-1-carbonyl)-2-propylpentanethioamide is sourced from PubChem (CID 63217370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).