2-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-propylpentanethioamide

C15H29N3OS — CID 63513942

IUPAC2-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-propylpentanethioamide
SMILESCCCC(CCC)(C(=O)N1CCC(N(C)C)C1)C(N)=S
InChIInChI=1S/C15H29N3OS/c1-5-8-15(9-6-2,13(16)20)14(19)18-10-7-12(11-18)17(3)4/h12H,5-11H2,1-4H3,(H2,16,20)
InChIKeyIARPYAZZJMRVQW-UHFFFAOYSA-N
MW299.48 g/mol
LogP2.02
Rot. Bonds7

About 2-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-propylpentanethioamide

2-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-propylpentanethioamide (PubChem CID 63513942) has the molecular formula C15H29N3OS and a molecular weight of 299.48 g/mol. Its IUPAC name is 2-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-propylpentanethioamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-propylpentanethioamide
PubChem CID63513942
Molecular FormulaC15H29N3OS
Molecular Weight299.48 g/mol
Exact Mass299.20
IUPAC Name2-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-propylpentanethioamide
SMILESCCCC(CCC)(C(=O)N1CCC(N(C)C)C1)C(N)=S
InChIInChI=1S/C15H29N3OS/c1-5-8-15(9-6-2,13(16)20)14(19)18-10-7-12(11-18)17(3)4/h12H,5-11H2,1-4H3,(H2,16,20)
InChIKeyIARPYAZZJMRVQW-UHFFFAOYSA-N
XLogP2.02
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.48
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-methylbutanethioamide
CID 114292277
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-2-propylpentanethioamide
CID 115559919
2-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]-2-ethylbutan-1-one
CID 79814784
2-(4-hydroxy-4-methylpiperidine-1-carbonyl)-2-propylpentanethioamide
CID 81115738
N'-hydroxy-2-(3-methylpyrrolidine-1-carbonyl)-2-propylpentanimidamide
CID 76924945
2-bromo-1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 114328660
3-[3-(dimethylamino)pyrrolidin-1-yl]-N'-hydroxy-2,2-dimethyl-3-oxopropanimidamide
CID 76986953
2-(2,4-dimethylpiperidine-1-carbonyl)-2-propylpentanethioamide
CID 62331429
ethane;ethyl 3-(dimethylamino)pyrrolidine-1-carboxylate
CID 162757671
2-bromo-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
CID 55246948
2-(aminomethyl)-1-[3-(diethylamino)pyrrolidin-1-yl]-2-propylpentan-1-one
CID 63164953
1-[3-(dimethylamino)pyrrolidine-1-carbonyl]cyclobutane-1-carbothioamide
CID 80591206

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-propylpentanethioamide?
The IUPAC name of 2-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-propylpentanethioamide (CID 63513942) is 2-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-propylpentanethioamide.
What is the SMILES notation for 2-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-propylpentanethioamide?
The canonical SMILES for 2-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-propylpentanethioamide is CCCC(CCC)(C(=O)N1CCC(N(C)C)C1)C(N)=S.
What is the InChIKey of 2-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-propylpentanethioamide?
The InChIKey is IARPYAZZJMRVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3OS/c1-5-8-15(9-6-2,13(16)20)14(19)18-10-7-12(11-18)17(3)4/h12H,5-11H2,1-4H3,(H2,16,20).
What are the key properties of 2-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-propylpentanethioamide?
2-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-propylpentanethioamide has a molecular weight of 299.48 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-propylpentanethioamide is sourced from PubChem (CID 63513942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).