N'-(2-methylpropyl)thiophene-3-carboximidamide

C9H14N2S — CID 62049223

IUPACN'-(2-methylpropyl)thiophene-3-carboximidamide
SMILESCC(C)C/N=C(\N)c1ccsc1
InChIInChI=1S/C9H14N2S/c1-7(2)5-11-9(10)8-3-4-12-6-8/h3-4,6-7H,5H2,1-2H3,(H2,10,11)
InChIKeyWEYNBFNSIBFCPP-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.11
Rot. Bonds3

About N'-(2-methylpropyl)thiophene-3-carboximidamide

N'-(2-methylpropyl)thiophene-3-carboximidamide (PubChem CID 62049223) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is N'-(2-methylpropyl)thiophene-3-carboximidamide.

Molecular Properties

Compound NameN'-(2-methylpropyl)thiophene-3-carboximidamide
PubChem CID62049223
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC NameN'-(2-methylpropyl)thiophene-3-carboximidamide
SMILESCC(C)C/N=C(\N)c1ccsc1
InChIInChI=1S/C9H14N2S/c1-7(2)5-11-9(10)8-3-4-12-6-8/h3-4,6-7H,5H2,1-2H3,(H2,10,11)
InChIKeyWEYNBFNSIBFCPP-UHFFFAOYSA-N
XLogP2.11
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methylpropyl)thiophene-3-carboximidamide?
The IUPAC name of N'-(2-methylpropyl)thiophene-3-carboximidamide (CID 62049223) is N'-(2-methylpropyl)thiophene-3-carboximidamide.
What is the SMILES notation for N'-(2-methylpropyl)thiophene-3-carboximidamide?
The canonical SMILES for N'-(2-methylpropyl)thiophene-3-carboximidamide is CC(C)C/N=C(\N)c1ccsc1.
What is the InChIKey of N'-(2-methylpropyl)thiophene-3-carboximidamide?
The InChIKey is WEYNBFNSIBFCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-7(2)5-11-9(10)8-3-4-12-6-8/h3-4,6-7H,5H2,1-2H3,(H2,10,11).
What are the key properties of N'-(2-methylpropyl)thiophene-3-carboximidamide?
N'-(2-methylpropyl)thiophene-3-carboximidamide has a molecular weight of 182.29 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylpropyl)thiophene-3-carboximidamide is sourced from PubChem (CID 62049223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).