(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide

C15H24N4O3S — CID 129446573

IUPAC(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
SMILESC[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCC[C@H]1Cn1cccn1
InChIInChI=1S/C15H24N4O3S/c1-12(15(20)17-13-5-9-23(21,22)11-13)19-8-2-4-14(19)10-18-7-3-6-16-18/h3,6-7,12-14H,2,4-5,8-11H2,1H3,(H,17,20)/t12-,13+,14+/m1/s1
InChIKeyGGDLGCNWZNOZOU-RDBSUJKOSA-N
MW340.45 g/mol
LogP0.04
Rot. Bonds5

About (2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide

(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide (PubChem CID 129446573) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is (2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
PubChem CID129446573
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC Name(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
SMILESC[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCC[C@H]1Cn1cccn1
InChIInChI=1S/C15H24N4O3S/c1-12(15(20)17-13-5-9-23(21,22)11-13)19-8-2-4-14(19)10-18-7-3-6-16-18/h3,6-7,12-14H,2,4-5,8-11H2,1H3,(H,17,20)/t12-,13+,14+/m1/s1
InChIKeyGGDLGCNWZNOZOU-RDBSUJKOSA-N
XLogP0.04
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 129447804
(2S)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 95354497
N-(2-butan-2-ylpyrazol-3-yl)-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 56780408
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 129447803
(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95979166
(2R)-N-(furan-2-ylmethyl)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95611636
N-(1,1-dioxothiolan-3-yl)-2-pyrazol-1-ylacetamide
CID 110689965
(2S)-N-benzyl-2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 95609157
2-[[(2R)-2-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanoyl]amino]thiophene-3-carboxamide
CID 95609359
[(3S)-1,1-dioxothiolan-3-yl]-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95319762
(2S)-2-phenyl-N-propan-2-yl-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 129427084
(2R)-N-cyclopropyl-2-(4-fluorophenyl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 129426148

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide?
The IUPAC name of (2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide (CID 129446573) is (2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide?
The canonical SMILES for (2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide is C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCC[C@H]1Cn1cccn1.
What is the InChIKey of (2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide?
The InChIKey is GGDLGCNWZNOZOU-RDBSUJKOSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-12(15(20)17-13-5-9-23(21,22)11-13)19-8-2-4-14(19)10-18-7-3-6-16-18/h3,6-7,12-14H,2,4-5,8-11H2,1H3,(H,17,20)/t12-,13+,14+/m1/s1.
What are the key properties of (2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide?
(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide has a molecular weight of 340.45 g/mol, XLogP of 0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide is sourced from PubChem (CID 129446573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).