(2R)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-pyrazol-1-ylpropanamide

C11H17N3O3S — CID 94037886

IUPAC(2R)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-pyrazol-1-ylpropanamide
SMILESC[C@H](C(=O)NC[C@H]1CCS(=O)(=O)C1)n1cccn1
InChIInChI=1S/C11H17N3O3S/c1-9(14-5-2-4-13-14)11(15)12-7-10-3-6-18(16,17)8-10/h2,4-5,9-10H,3,6-8H2,1H3,(H,12,15)/t9-,10-/m1/s1
InChIKeyHFHMHLWMAYPGRN-NXEZZACHSA-N
MW271.34 g/mol
LogP-0.00
Rot. Bonds4

About (2R)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-pyrazol-1-ylpropanamide

(2R)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-pyrazol-1-ylpropanamide (PubChem CID 94037886) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is (2R)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-pyrazol-1-ylpropanamide
PubChem CID94037886
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name(2R)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-pyrazol-1-ylpropanamide
SMILESC[C@H](C(=O)NC[C@H]1CCS(=O)(=O)C1)n1cccn1
InChIInChI=1S/C11H17N3O3S/c1-9(14-5-2-4-13-14)11(15)12-7-10-3-6-18(16,17)8-10/h2,4-5,9-10H,3,6-8H2,1H3,(H,12,15)/t9-,10-/m1/s1
InChIKeyHFHMHLWMAYPGRN-NXEZZACHSA-N
XLogP-0.00
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-pyrazol-1-ylpropanamide with MolForge

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Related Compounds

(2S)-2-amino-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]propanamide
CID 51892168
2-bromo-N-[(1,1-dioxothiolan-3-yl)methyl]propanamide
CID 107904735
N-[(1,1-dioxothiolan-3-yl)methyl]-2-piperazin-1-ylpropanamide
CID 62131979
3-[(1,1-dioxothiolan-3-yl)methylamino]-2-methyl-3-oxopropanoic acid
CID 114897762
2-amino-N-[(1,1-dioxothiolan-3-yl)methyl]-3-methylbutanamide
CID 61058403
(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]propanamide
CID 95619703
2-amino-N-[(1,1-dioxothiolan-3-yl)methyl]-3-methylpentanamide
CID 54915645
N-[4-[(1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]-2-pyrazol-1-ylpropanamide
CID 43055240
(2S)-2-amino-N-[(1,1-dioxothiolan-3-yl)methyl]-3,3-dimethylbutanamide
CID 61158739
N-[2-(cycloheptylamino)ethyl]-2-pyrazol-1-ylpropanamide
CID 81424644
N-[(1,1-dioxothiolan-3-yl)methyl]-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 86895490
N-cycloheptyl-2-pyrazol-1-ylpropanamide
CID 47156273

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of (2R)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-pyrazol-1-ylpropanamide (CID 94037886) is (2R)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for (2R)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for (2R)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-pyrazol-1-ylpropanamide is C[C@H](C(=O)NC[C@H]1CCS(=O)(=O)C1)n1cccn1.
What is the InChIKey of (2R)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is HFHMHLWMAYPGRN-NXEZZACHSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-9(14-5-2-4-13-14)11(15)12-7-10-3-6-18(16,17)8-10/h2,4-5,9-10H,3,6-8H2,1H3,(H,12,15)/t9-,10-/m1/s1.
What are the key properties of (2R)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-pyrazol-1-ylpropanamide?
(2R)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 271.34 g/mol, XLogP of -0.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[(3R)-1,1-dioxothiolan-3-yl]methyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 94037886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).