2-[(2R,5S)-5-[[(2,5-dimethylpyrazol-3-yl)sulfonylamino]methyl]-1-methylpyrrolidin-2-yl]-N-methylacetamide

C14H25N5O3S — CID 166622387

IUPAC2-[(2R,5S)-5-[[(2,5-dimethylpyrazol-3-yl)sulfonylamino]methyl]-1-methylpyrrolidin-2-yl]-N-methylacetamide
SMILESCNC(=O)C[C@H]1CC[C@@H](CNS(=O)(=O)c2cc(C)nn2C)N1C
InChIInChI=1S/C14H25N5O3S/c1-10-7-14(19(4)17-10)23(21,22)16-9-12-6-5-11(18(12)3)8-13(20)15-2/h7,11-12,16H,5-6,8-9H2,1-4H3,(H,15,20)/t11-,12+/m1/s1
InChIKeyWXMPTYFLBRPDRU-NEPJUHHUSA-N
MW343.45 g/mol
LogP-0.39
Rot. Bonds6

About 2-[(2R,5S)-5-[[(2,5-dimethylpyrazol-3-yl)sulfonylamino]methyl]-1-methylpyrrolidin-2-yl]-N-methylacetamide

2-[(2R,5S)-5-[[(2,5-dimethylpyrazol-3-yl)sulfonylamino]methyl]-1-methylpyrrolidin-2-yl]-N-methylacetamide (PubChem CID 166622387) has the molecular formula C14H25N5O3S and a molecular weight of 343.45 g/mol. Its IUPAC name is 2-[(2R,5S)-5-[[(2,5-dimethylpyrazol-3-yl)sulfonylamino]methyl]-1-methylpyrrolidin-2-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2R,5S)-5-[[(2,5-dimethylpyrazol-3-yl)sulfonylamino]methyl]-1-methylpyrrolidin-2-yl]-N-methylacetamide
PubChem CID166622387
Molecular FormulaC14H25N5O3S
Molecular Weight343.45 g/mol
Exact Mass343.17
IUPAC Name2-[(2R,5S)-5-[[(2,5-dimethylpyrazol-3-yl)sulfonylamino]methyl]-1-methylpyrrolidin-2-yl]-N-methylacetamide
SMILESCNC(=O)C[C@H]1CC[C@@H](CNS(=O)(=O)c2cc(C)nn2C)N1C
InChIInChI=1S/C14H25N5O3S/c1-10-7-14(19(4)17-10)23(21,22)16-9-12-6-5-11(18(12)3)8-13(20)15-2/h7,11-12,16H,5-6,8-9H2,1-4H3,(H,15,20)/t11-,12+/m1/s1
InChIKeyWXMPTYFLBRPDRU-NEPJUHHUSA-N
XLogP-0.39
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5S)-5-[[(2,5-dimethylpyrazol-3-yl)sulfonylamino]methyl]-1-methylpyrrolidin-2-yl]-N-methylacetamide?
The IUPAC name of 2-[(2R,5S)-5-[[(2,5-dimethylpyrazol-3-yl)sulfonylamino]methyl]-1-methylpyrrolidin-2-yl]-N-methylacetamide (CID 166622387) is 2-[(2R,5S)-5-[[(2,5-dimethylpyrazol-3-yl)sulfonylamino]methyl]-1-methylpyrrolidin-2-yl]-N-methylacetamide.
What is the SMILES notation for 2-[(2R,5S)-5-[[(2,5-dimethylpyrazol-3-yl)sulfonylamino]methyl]-1-methylpyrrolidin-2-yl]-N-methylacetamide?
The canonical SMILES for 2-[(2R,5S)-5-[[(2,5-dimethylpyrazol-3-yl)sulfonylamino]methyl]-1-methylpyrrolidin-2-yl]-N-methylacetamide is CNC(=O)C[C@H]1CC[C@@H](CNS(=O)(=O)c2cc(C)nn2C)N1C.
What is the InChIKey of 2-[(2R,5S)-5-[[(2,5-dimethylpyrazol-3-yl)sulfonylamino]methyl]-1-methylpyrrolidin-2-yl]-N-methylacetamide?
The InChIKey is WXMPTYFLBRPDRU-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H25N5O3S/c1-10-7-14(19(4)17-10)23(21,22)16-9-12-6-5-11(18(12)3)8-13(20)15-2/h7,11-12,16H,5-6,8-9H2,1-4H3,(H,15,20)/t11-,12+/m1/s1.
What are the key properties of 2-[(2R,5S)-5-[[(2,5-dimethylpyrazol-3-yl)sulfonylamino]methyl]-1-methylpyrrolidin-2-yl]-N-methylacetamide?
2-[(2R,5S)-5-[[(2,5-dimethylpyrazol-3-yl)sulfonylamino]methyl]-1-methylpyrrolidin-2-yl]-N-methylacetamide has a molecular weight of 343.45 g/mol, XLogP of -0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,5S)-5-[[(2,5-dimethylpyrazol-3-yl)sulfonylamino]methyl]-1-methylpyrrolidin-2-yl]-N-methylacetamide is sourced from PubChem (CID 166622387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).