N-[(2S)-1-amino-1-oxopropan-2-yl]-3-iodo-4-methylthiophene-2-carboxamide

C9H11IN2O2S — CID 99826461

IUPACN-[(2S)-1-amino-1-oxopropan-2-yl]-3-iodo-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)N[C@@H](C)C(N)=O)c1I
InChIInChI=1S/C9H11IN2O2S/c1-4-3-15-7(6(4)10)9(14)12-5(2)8(11)13/h3,5H,1-2H3,(H2,11,13)(H,12,14)/t5-/m0/s1
InChIKeyHBCIPGTZCADQOT-YFKPBYRVSA-N
MW338.17 g/mol
LogP1.26
Rot. Bonds3

About N-[(2S)-1-amino-1-oxopropan-2-yl]-3-iodo-4-methylthiophene-2-carboxamide

N-[(2S)-1-amino-1-oxopropan-2-yl]-3-iodo-4-methylthiophene-2-carboxamide (PubChem CID 99826461) has the molecular formula C9H11IN2O2S and a molecular weight of 338.17 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxopropan-2-yl]-3-iodo-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxopropan-2-yl]-3-iodo-4-methylthiophene-2-carboxamide
PubChem CID99826461
Molecular FormulaC9H11IN2O2S
Molecular Weight338.17 g/mol
Exact Mass337.96
IUPAC NameN-[(2S)-1-amino-1-oxopropan-2-yl]-3-iodo-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)N[C@@H](C)C(N)=O)c1I
InChIInChI=1S/C9H11IN2O2S/c1-4-3-15-7(6(4)10)9(14)12-5(2)8(11)13/h3,5H,1-2H3,(H2,11,13)(H,12,14)/t5-/m0/s1
InChIKeyHBCIPGTZCADQOT-YFKPBYRVSA-N
XLogP1.26
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.17
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-3-iodo-4-methylthiophene-2-carboxamide?
The IUPAC name of N-[(2S)-1-amino-1-oxopropan-2-yl]-3-iodo-4-methylthiophene-2-carboxamide (CID 99826461) is N-[(2S)-1-amino-1-oxopropan-2-yl]-3-iodo-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxopropan-2-yl]-3-iodo-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxopropan-2-yl]-3-iodo-4-methylthiophene-2-carboxamide is Cc1csc(C(=O)N[C@@H](C)C(N)=O)c1I.
What is the InChIKey of N-[(2S)-1-amino-1-oxopropan-2-yl]-3-iodo-4-methylthiophene-2-carboxamide?
The InChIKey is HBCIPGTZCADQOT-YFKPBYRVSA-N. The full InChI is InChI=1S/C9H11IN2O2S/c1-4-3-15-7(6(4)10)9(14)12-5(2)8(11)13/h3,5H,1-2H3,(H2,11,13)(H,12,14)/t5-/m0/s1.
What are the key properties of N-[(2S)-1-amino-1-oxopropan-2-yl]-3-iodo-4-methylthiophene-2-carboxamide?
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-iodo-4-methylthiophene-2-carboxamide has a molecular weight of 338.17 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxopropan-2-yl]-3-iodo-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 99826461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).