N'-(thiophen-3-ylmethyl)cyclopropanecarboximidamide

C9H12N2S — CID 63248056

IUPACN'-(thiophen-3-ylmethyl)cyclopropanecarboximidamide
SMILESN/C(=N\Cc1ccsc1)C1CC1
InChIInChI=1S/C9H12N2S/c10-9(8-1-2-8)11-5-7-3-4-12-6-7/h3-4,6,8H,1-2,5H2,(H2,10,11)
InChIKeyBYRWKLRTZNWJMO-UHFFFAOYSA-N
MW180.28 g/mol
LogP2.02
Rot. Bonds3

About N'-(thiophen-3-ylmethyl)cyclopropanecarboximidamide

N'-(thiophen-3-ylmethyl)cyclopropanecarboximidamide (PubChem CID 63248056) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is N'-(thiophen-3-ylmethyl)cyclopropanecarboximidamide.

Molecular Properties

Compound NameN'-(thiophen-3-ylmethyl)cyclopropanecarboximidamide
PubChem CID63248056
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC NameN'-(thiophen-3-ylmethyl)cyclopropanecarboximidamide
SMILESN/C(=N\Cc1ccsc1)C1CC1
InChIInChI=1S/C9H12N2S/c10-9(8-1-2-8)11-5-7-3-4-12-6-7/h3-4,6,8H,1-2,5H2,(H2,10,11)
InChIKeyBYRWKLRTZNWJMO-UHFFFAOYSA-N
XLogP2.02
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 52.02
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'-(thiophen-3-ylmethyl)cyclopropanecarboximidamide?
The IUPAC name of N'-(thiophen-3-ylmethyl)cyclopropanecarboximidamide (CID 63248056) is N'-(thiophen-3-ylmethyl)cyclopropanecarboximidamide.
What is the SMILES notation for N'-(thiophen-3-ylmethyl)cyclopropanecarboximidamide?
The canonical SMILES for N'-(thiophen-3-ylmethyl)cyclopropanecarboximidamide is N/C(=N\Cc1ccsc1)C1CC1.
What is the InChIKey of N'-(thiophen-3-ylmethyl)cyclopropanecarboximidamide?
The InChIKey is BYRWKLRTZNWJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S/c10-9(8-1-2-8)11-5-7-3-4-12-6-7/h3-4,6,8H,1-2,5H2,(H2,10,11).
What are the key properties of N'-(thiophen-3-ylmethyl)cyclopropanecarboximidamide?
N'-(thiophen-3-ylmethyl)cyclopropanecarboximidamide has a molecular weight of 180.28 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(thiophen-3-ylmethyl)cyclopropanecarboximidamide is sourced from PubChem (CID 63248056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).