(2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide

C14H24N4O3S — CID 95288925

IUPAC(2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide
SMILESC[C@H](Cn1cccn1)N[C@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C14H24N4O3S/c1-11(9-18-7-4-6-15-18)16-12(2)14(19)17(3)13-5-8-22(20,21)10-13/h4,6-7,11-13,16H,5,8-10H2,1-3H3/t11-,12-,13-/m1/s1
InChIKeyHCPGMIXZSDNPCO-JHJVBQTASA-N
MW328.44 g/mol
LogP-0.10
Rot. Bonds6

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

(2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide (PubChem CID 95288925) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is (2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide
PubChem CID95288925
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC Name(2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide
SMILESC[C@H](Cn1cccn1)N[C@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1
InChIInChI=1S/C14H24N4O3S/c1-11(9-18-7-4-6-15-18)16-12(2)14(19)17(3)13-5-8-22(20,21)10-13/h4,6-7,11-13,16H,5,8-10H2,1-3H3/t11-,12-,13-/m1/s1
InChIKeyHCPGMIXZSDNPCO-JHJVBQTASA-N
XLogP-0.10
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-(3-pyrazol-1-ylazetidin-1-yl)propanamide
CID 95280512
(2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-[[(1S)-2-methyl-1-phenylpropyl]amino]propanamide
CID 124824463
N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-[[(2S,3S)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide
CID 95759572
(2R)-2-amino-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 78971907
(2S)-N-[(3-fluorophenyl)methyl]-N-methyl-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide
CID 95346005
(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-(1-methylimidazol-2-yl)sulfanylpropanamide
CID 37292231
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[[1-(pyrazol-1-ylmethyl)cyclopropyl]methyl]acetamide
CID 118769438
2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylamino]-N-(1,1-dioxothiolan-3-yl)-N-methylpropanamide
CID 127843888
1-[(3R)-1,1-dioxothiolan-3-yl]-1-methyl-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 95152415
(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide
CID 124852947
(2R)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-methylpropanamide
CID 9379508
2-amino-N-(1,1-dioxothiolan-3-yl)-N,3-dimethylpentanamide
CID 43648743

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide?
The IUPAC name of (2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide (CID 95288925) is (2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide.
What is the SMILES notation for (2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide?
The canonical SMILES for (2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide is C[C@H](Cn1cccn1)N[C@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1.
What is the InChIKey of (2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide?
The InChIKey is HCPGMIXZSDNPCO-JHJVBQTASA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-11(9-18-7-4-6-15-18)16-12(2)14(19)17(3)13-5-8-22(20,21)10-13/h4,6-7,11-13,16H,5,8-10H2,1-3H3/t11-,12-,13-/m1/s1.
What are the key properties of (2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide?
(2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide has a molecular weight of 328.44 g/mol, XLogP of -0.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-methyl-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]propanamide is sourced from PubChem (CID 95288925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).