N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-2-ethylsulfonylacetamide

C15H24FN5O3S — CID 128993849

IUPACN-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-2-ethylsulfonylacetamide
SMILESCCS(=O)(=O)CC(=O)NC[C@@H]1C[C@H](F)CN1c1ccnc(N(C)C)n1
InChIInChI=1S/C15H24FN5O3S/c1-4-25(23,24)10-14(22)18-8-12-7-11(16)9-21(12)13-5-6-17-15(19-13)20(2)3/h5-6,11-12H,4,7-10H2,1-3H3,(H,18,22)/t11-,12-/m0/s1
InChIKeyZATGEGNUZKQQST-RYUDHWBXSA-N
MW373.45 g/mol
LogP0.01
Rot. Bonds7

About N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-2-ethylsulfonylacetamide

N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-2-ethylsulfonylacetamide (PubChem CID 128993849) has the molecular formula C15H24FN5O3S and a molecular weight of 373.45 g/mol. Its IUPAC name is N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-2-ethylsulfonylacetamide.

Molecular Properties

Compound NameN-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-2-ethylsulfonylacetamide
PubChem CID128993849
Molecular FormulaC15H24FN5O3S
Molecular Weight373.45 g/mol
Exact Mass373.16
IUPAC NameN-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-2-ethylsulfonylacetamide
SMILESCCS(=O)(=O)CC(=O)NC[C@@H]1C[C@H](F)CN1c1ccnc(N(C)C)n1
InChIInChI=1S/C15H24FN5O3S/c1-4-25(23,24)10-14(22)18-8-12-7-11(16)9-21(12)13-5-6-17-15(19-13)20(2)3/h5-6,11-12H,4,7-10H2,1-3H3,(H,18,22)/t11-,12-/m0/s1
InChIKeyZATGEGNUZKQQST-RYUDHWBXSA-N
XLogP0.01
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-2-ethylsulfonylacetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-2-ethylsulfonylacetamide?
The IUPAC name of N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-2-ethylsulfonylacetamide (CID 128993849) is N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-2-ethylsulfonylacetamide.
What is the SMILES notation for N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-2-ethylsulfonylacetamide?
The canonical SMILES for N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-2-ethylsulfonylacetamide is CCS(=O)(=O)CC(=O)NC[C@@H]1C[C@H](F)CN1c1ccnc(N(C)C)n1.
What is the InChIKey of N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-2-ethylsulfonylacetamide?
The InChIKey is ZATGEGNUZKQQST-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H24FN5O3S/c1-4-25(23,24)10-14(22)18-8-12-7-11(16)9-21(12)13-5-6-17-15(19-13)20(2)3/h5-6,11-12H,4,7-10H2,1-3H3,(H,18,22)/t11-,12-/m0/s1.
What are the key properties of N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-2-ethylsulfonylacetamide?
N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-2-ethylsulfonylacetamide has a molecular weight of 373.45 g/mol, XLogP of 0.01, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-2-ethylsulfonylacetamide is sourced from PubChem (CID 128993849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).