1-cyclopropyl-2-(thiophen-3-ylmethyl)guanidine

C9H13N3S — CID 62407822

IUPAC1-cyclopropyl-2-(thiophen-3-ylmethyl)guanidine
SMILESN/C(=N\Cc1ccsc1)NC1CC1
InChIInChI=1S/C9H13N3S/c10-9(12-8-1-2-8)11-5-7-3-4-13-6-7/h3-4,6,8H,1-2,5H2,(H3,10,11,12)
InChIKeyQFLVSMQRXJMRHH-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.31
Rot. Bonds3

About 1-cyclopropyl-2-(thiophen-3-ylmethyl)guanidine

1-cyclopropyl-2-(thiophen-3-ylmethyl)guanidine (PubChem CID 62407822) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is 1-cyclopropyl-2-(thiophen-3-ylmethyl)guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-(thiophen-3-ylmethyl)guanidine
PubChem CID62407822
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC Name1-cyclopropyl-2-(thiophen-3-ylmethyl)guanidine
SMILESN/C(=N\Cc1ccsc1)NC1CC1
InChIInChI=1S/C9H13N3S/c10-9(12-8-1-2-8)11-5-7-3-4-13-6-7/h3-4,6,8H,1-2,5H2,(H3,10,11,12)
InChIKeyQFLVSMQRXJMRHH-UHFFFAOYSA-N
XLogP1.31
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.31
H-Bond Donors ≤ 52
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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Related Compounds

N'-(thiophen-3-ylmethyl)cyclopropanecarboximidamide
CID 63248056
1-cyclopropyl-2-(pyridin-4-ylmethyl)guanidine
CID 62362184
1-cyclopropyl-2-[(3-methylphenyl)methyl]guanidine
CID 62361764
N-[4-(methylamino)cyclohexyl]-2-thiophen-3-ylacetamide
CID 79111056
1-cyclopropyl-2-[(3-methylthiophen-2-yl)methyl]guanidine
CID 78989976
2-[(4-cyanophenyl)methyl]-1-cyclopropylguanidine;hydroiodide
CID 110911948
1-cyclopropyl-2-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]guanidine
CID 110915054
1-cyclopropyl-2-[(4-methylsulfonylphenyl)methyl]guanidine
CID 62364011
1-cyclopropyl-3-[(1,1-dioxothiolan-3-yl)methyl]-2-(thiophen-3-ylmethyl)guanidine
CID 119150873
1-(3-methylphenyl)-2-(thiophen-3-ylmethyl)guanidine
CID 111052104
2-[(6-chloro-3-pyridinyl)methyl]-1-cyclopropylguanidine;hydroiodide
CID 110916460
2-methyl-N'-(thiophen-3-ylmethyl)propanimidamide
CID 63248055

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(thiophen-3-ylmethyl)guanidine?
The IUPAC name of 1-cyclopropyl-2-(thiophen-3-ylmethyl)guanidine (CID 62407822) is 1-cyclopropyl-2-(thiophen-3-ylmethyl)guanidine.
What is the SMILES notation for 1-cyclopropyl-2-(thiophen-3-ylmethyl)guanidine?
The canonical SMILES for 1-cyclopropyl-2-(thiophen-3-ylmethyl)guanidine is N/C(=N\Cc1ccsc1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-(thiophen-3-ylmethyl)guanidine?
The InChIKey is QFLVSMQRXJMRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c10-9(12-8-1-2-8)11-5-7-3-4-13-6-7/h3-4,6,8H,1-2,5H2,(H3,10,11,12).
What are the key properties of 1-cyclopropyl-2-(thiophen-3-ylmethyl)guanidine?
1-cyclopropyl-2-(thiophen-3-ylmethyl)guanidine has a molecular weight of 195.29 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(thiophen-3-ylmethyl)guanidine is sourced from PubChem (CID 62407822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).