4-amino-1-ethyl-N-(2-methylsulfinylpropyl)pyrrole-2-carboxamide

C11H19N3O2S — CID 113483947

IUPAC4-amino-1-ethyl-N-(2-methylsulfinylpropyl)pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)NCC(C)S(C)=O
InChIInChI=1S/C11H19N3O2S/c1-4-14-7-9(12)5-10(14)11(15)13-6-8(2)17(3)16/h5,7-8H,4,6,12H2,1-3H3,(H,13,15)
InChIKeyNQDRXORHCJZIDI-UHFFFAOYSA-N
MW257.36 g/mol
LogP0.59
Rot. Bonds5

About 4-amino-1-ethyl-N-(2-methylsulfinylpropyl)pyrrole-2-carboxamide

4-amino-1-ethyl-N-(2-methylsulfinylpropyl)pyrrole-2-carboxamide (PubChem CID 113483947) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-(2-methylsulfinylpropyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-(2-methylsulfinylpropyl)pyrrole-2-carboxamide
PubChem CID113483947
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name4-amino-1-ethyl-N-(2-methylsulfinylpropyl)pyrrole-2-carboxamide
SMILESCCn1cc(N)cc1C(=O)NCC(C)S(C)=O
InChIInChI=1S/C11H19N3O2S/c1-4-14-7-9(12)5-10(14)11(15)13-6-8(2)17(3)16/h5,7-8H,4,6,12H2,1-3H3,(H,13,15)
InChIKeyNQDRXORHCJZIDI-UHFFFAOYSA-N
XLogP0.59
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-(2-methylsulfinylpropyl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-(2-methylsulfinylpropyl)pyrrole-2-carboxamide (CID 113483947) is 4-amino-1-ethyl-N-(2-methylsulfinylpropyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-(2-methylsulfinylpropyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-(2-methylsulfinylpropyl)pyrrole-2-carboxamide is CCn1cc(N)cc1C(=O)NCC(C)S(C)=O.
What is the InChIKey of 4-amino-1-ethyl-N-(2-methylsulfinylpropyl)pyrrole-2-carboxamide?
The InChIKey is NQDRXORHCJZIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-4-14-7-9(12)5-10(14)11(15)13-6-8(2)17(3)16/h5,7-8H,4,6,12H2,1-3H3,(H,13,15).
What are the key properties of 4-amino-1-ethyl-N-(2-methylsulfinylpropyl)pyrrole-2-carboxamide?
4-amino-1-ethyl-N-(2-methylsulfinylpropyl)pyrrole-2-carboxamide has a molecular weight of 257.36 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-(2-methylsulfinylpropyl)pyrrole-2-carboxamide is sourced from PubChem (CID 113483947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).