N-amino-N'-cyclopentyl-5-iodothiophene-3-carboximidamide

C10H14IN3S — CID 79684407

IUPACN-amino-N'-cyclopentyl-5-iodothiophene-3-carboximidamide
SMILESNN/C(=N\C1CCCC1)c1csc(I)c1
InChIInChI=1S/C10H14IN3S/c11-9-5-7(6-15-9)10(14-12)13-8-3-1-2-4-8/h5-6,8H,1-4,12H2,(H,13,14)
InChIKeyHLHAAMIIVLSMTD-UHFFFAOYSA-N
MW335.21 g/mol
LogP2.51
Rot. Bonds2

About N-amino-N'-cyclopentyl-5-iodothiophene-3-carboximidamide

N-amino-N'-cyclopentyl-5-iodothiophene-3-carboximidamide (PubChem CID 79684407) has the molecular formula C10H14IN3S and a molecular weight of 335.21 g/mol. Its IUPAC name is N-amino-N'-cyclopentyl-5-iodothiophene-3-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclopentyl-5-iodothiophene-3-carboximidamide
PubChem CID79684407
Molecular FormulaC10H14IN3S
Molecular Weight335.21 g/mol
Exact Mass335.00
IUPAC NameN-amino-N'-cyclopentyl-5-iodothiophene-3-carboximidamide
SMILESNN/C(=N\C1CCCC1)c1csc(I)c1
InChIInChI=1S/C10H14IN3S/c11-9-5-7(6-15-9)10(14-12)13-8-3-1-2-4-8/h5-6,8H,1-4,12H2,(H,13,14)
InChIKeyHLHAAMIIVLSMTD-UHFFFAOYSA-N
XLogP2.51
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 52.51
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'-cyclopentyl-5-iodothiophene-3-carboximidamide?
The IUPAC name of N-amino-N'-cyclopentyl-5-iodothiophene-3-carboximidamide (CID 79684407) is N-amino-N'-cyclopentyl-5-iodothiophene-3-carboximidamide.
What is the SMILES notation for N-amino-N'-cyclopentyl-5-iodothiophene-3-carboximidamide?
The canonical SMILES for N-amino-N'-cyclopentyl-5-iodothiophene-3-carboximidamide is NN/C(=N\C1CCCC1)c1csc(I)c1.
What is the InChIKey of N-amino-N'-cyclopentyl-5-iodothiophene-3-carboximidamide?
The InChIKey is HLHAAMIIVLSMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3S/c11-9-5-7(6-15-9)10(14-12)13-8-3-1-2-4-8/h5-6,8H,1-4,12H2,(H,13,14).
What are the key properties of N-amino-N'-cyclopentyl-5-iodothiophene-3-carboximidamide?
N-amino-N'-cyclopentyl-5-iodothiophene-3-carboximidamide has a molecular weight of 335.21 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclopentyl-5-iodothiophene-3-carboximidamide is sourced from PubChem (CID 79684407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).