4-amino-N-(2-methyl-2-methylsulfonylpropyl)-1-propan-2-ylpyrrole-2-carboxamide

C13H23N3O3S — CID 79552297

IUPAC4-amino-N-(2-methyl-2-methylsulfonylpropyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(N)cc1C(=O)NCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C13H23N3O3S/c1-9(2)16-7-10(14)6-11(16)12(17)15-8-13(3,4)20(5,18)19/h6-7,9H,8,14H2,1-5H3,(H,15,17)
InChIKeySJFIAFXFRDKLOY-UHFFFAOYSA-N
MW301.41 g/mol
LogP1.20
Rot. Bonds5

About 4-amino-N-(2-methyl-2-methylsulfonylpropyl)-1-propan-2-ylpyrrole-2-carboxamide

4-amino-N-(2-methyl-2-methylsulfonylpropyl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 79552297) has the molecular formula C13H23N3O3S and a molecular weight of 301.41 g/mol. Its IUPAC name is 4-amino-N-(2-methyl-2-methylsulfonylpropyl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-methyl-2-methylsulfonylpropyl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID79552297
Molecular FormulaC13H23N3O3S
Molecular Weight301.41 g/mol
Exact Mass301.15
IUPAC Name4-amino-N-(2-methyl-2-methylsulfonylpropyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(N)cc1C(=O)NCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C13H23N3O3S/c1-9(2)16-7-10(14)6-11(16)12(17)15-8-13(3,4)20(5,18)19/h6-7,9H,8,14H2,1-5H3,(H,15,17)
InChIKeySJFIAFXFRDKLOY-UHFFFAOYSA-N
XLogP1.20
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methyl-2-methylsulfonylpropyl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(2-methyl-2-methylsulfonylpropyl)-1-propan-2-ylpyrrole-2-carboxamide (CID 79552297) is 4-amino-N-(2-methyl-2-methylsulfonylpropyl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2-methyl-2-methylsulfonylpropyl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(2-methyl-2-methylsulfonylpropyl)-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cc(N)cc1C(=O)NCC(C)(C)S(C)(=O)=O.
What is the InChIKey of 4-amino-N-(2-methyl-2-methylsulfonylpropyl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is SJFIAFXFRDKLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3S/c1-9(2)16-7-10(14)6-11(16)12(17)15-8-13(3,4)20(5,18)19/h6-7,9H,8,14H2,1-5H3,(H,15,17).
What are the key properties of 4-amino-N-(2-methyl-2-methylsulfonylpropyl)-1-propan-2-ylpyrrole-2-carboxamide?
4-amino-N-(2-methyl-2-methylsulfonylpropyl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 301.41 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methyl-2-methylsulfonylpropyl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 79552297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).