N-amino-N'-tert-butyl-5-iodothiophene-3-carboximidamide

C9H14IN3S — CID 79684329

IUPACN-amino-N'-tert-butyl-5-iodothiophene-3-carboximidamide
SMILESCC(C)(C)/N=C(/NN)c1csc(I)c1
InChIInChI=1S/C9H14IN3S/c1-9(2,3)12-8(13-11)6-4-7(10)14-5-6/h4-5H,11H2,1-3H3,(H,12,13)
InChIKeyCSCJLONHSYQPHX-UHFFFAOYSA-N
MW323.20 g/mol
LogP2.36
Rot. Bonds1

About N-amino-N'-tert-butyl-5-iodothiophene-3-carboximidamide

N-amino-N'-tert-butyl-5-iodothiophene-3-carboximidamide (PubChem CID 79684329) has the molecular formula C9H14IN3S and a molecular weight of 323.20 g/mol. Its IUPAC name is N-amino-N'-tert-butyl-5-iodothiophene-3-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-tert-butyl-5-iodothiophene-3-carboximidamide
PubChem CID79684329
Molecular FormulaC9H14IN3S
Molecular Weight323.20 g/mol
Exact Mass323.00
IUPAC NameN-amino-N'-tert-butyl-5-iodothiophene-3-carboximidamide
SMILESCC(C)(C)/N=C(/NN)c1csc(I)c1
InChIInChI=1S/C9H14IN3S/c1-9(2,3)12-8(13-11)6-4-7(10)14-5-6/h4-5H,11H2,1-3H3,(H,12,13)
InChIKeyCSCJLONHSYQPHX-UHFFFAOYSA-N
XLogP2.36
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.20
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-amino-N'-tert-butyl-5-iodothiophene-3-carboximidamide?
The IUPAC name of N-amino-N'-tert-butyl-5-iodothiophene-3-carboximidamide (CID 79684329) is N-amino-N'-tert-butyl-5-iodothiophene-3-carboximidamide.
What is the SMILES notation for N-amino-N'-tert-butyl-5-iodothiophene-3-carboximidamide?
The canonical SMILES for N-amino-N'-tert-butyl-5-iodothiophene-3-carboximidamide is CC(C)(C)/N=C(/NN)c1csc(I)c1.
What is the InChIKey of N-amino-N'-tert-butyl-5-iodothiophene-3-carboximidamide?
The InChIKey is CSCJLONHSYQPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14IN3S/c1-9(2,3)12-8(13-11)6-4-7(10)14-5-6/h4-5H,11H2,1-3H3,(H,12,13).
What are the key properties of N-amino-N'-tert-butyl-5-iodothiophene-3-carboximidamide?
N-amino-N'-tert-butyl-5-iodothiophene-3-carboximidamide has a molecular weight of 323.20 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-tert-butyl-5-iodothiophene-3-carboximidamide is sourced from PubChem (CID 79684329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).