N-(3-methyl-1,1-dioxothiolan-3-yl)-3-propylpyrrolidine-3-carboxamide

C13H24N2O3S — CID 63139454

IUPACN-(3-methyl-1,1-dioxothiolan-3-yl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NC2(C)CCS(=O)(=O)C2)CCNC1
InChIInChI=1S/C13H24N2O3S/c1-3-4-13(5-7-14-9-13)11(16)15-12(2)6-8-19(17,18)10-12/h14H,3-10H2,1-2H3,(H,15,16)
InChIKeyQCGJYYQIOYSFSW-UHFFFAOYSA-N
MW288.41 g/mol
LogP0.46
Rot. Bonds4

About N-(3-methyl-1,1-dioxothiolan-3-yl)-3-propylpyrrolidine-3-carboxamide

N-(3-methyl-1,1-dioxothiolan-3-yl)-3-propylpyrrolidine-3-carboxamide (PubChem CID 63139454) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is N-(3-methyl-1,1-dioxothiolan-3-yl)-3-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-1,1-dioxothiolan-3-yl)-3-propylpyrrolidine-3-carboxamide
PubChem CID63139454
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC NameN-(3-methyl-1,1-dioxothiolan-3-yl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NC2(C)CCS(=O)(=O)C2)CCNC1
InChIInChI=1S/C13H24N2O3S/c1-3-4-13(5-7-14-9-13)11(16)15-12(2)6-8-19(17,18)10-12/h14H,3-10H2,1-2H3,(H,15,16)
InChIKeyQCGJYYQIOYSFSW-UHFFFAOYSA-N
XLogP0.46
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxyphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63139935
3-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)piperidine-3-carboxamide
CID 63130167
3-propyl-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide
CID 63140733
N-(2,2-dimethoxyethyl)-3-propylpyrrolidine-3-carboxamide
CID 63141705
methyl 2-[(3-propylpyrrolidine-3-carbonyl)amino]propanoate
CID 63142586
3-propyl-N-(1H-pyrazol-4-yl)pyrrolidine-3-carboxamide
CID 63138545
N-(4-methyl-1,3-thiazol-2-yl)-3-propylpyrrolidine-3-carboxamide
CID 63138339
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-propylpyrrolidine-3-carboxamide
CID 113433645
N-cyclopentyl-3-propylpyrrolidine-3-carboxamide
CID 63141137
N-cyclobutyl-3-propylpyrrolidine-3-carboxamide
CID 63142561
(1,1-dioxo-1,4-thiazinan-4-yl)-(3-propylpyrrolidin-3-yl)methanone
CID 63138858
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 65120275

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,1-dioxothiolan-3-yl)-3-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-(3-methyl-1,1-dioxothiolan-3-yl)-3-propylpyrrolidine-3-carboxamide (CID 63139454) is N-(3-methyl-1,1-dioxothiolan-3-yl)-3-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-methyl-1,1-dioxothiolan-3-yl)-3-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-methyl-1,1-dioxothiolan-3-yl)-3-propylpyrrolidine-3-carboxamide is CCCC1(C(=O)NC2(C)CCS(=O)(=O)C2)CCNC1.
What is the InChIKey of N-(3-methyl-1,1-dioxothiolan-3-yl)-3-propylpyrrolidine-3-carboxamide?
The InChIKey is QCGJYYQIOYSFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-3-4-13(5-7-14-9-13)11(16)15-12(2)6-8-19(17,18)10-12/h14H,3-10H2,1-2H3,(H,15,16).
What are the key properties of N-(3-methyl-1,1-dioxothiolan-3-yl)-3-propylpyrrolidine-3-carboxamide?
N-(3-methyl-1,1-dioxothiolan-3-yl)-3-propylpyrrolidine-3-carboxamide has a molecular weight of 288.41 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,1-dioxothiolan-3-yl)-3-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63139454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).