N'-(thiolan-3-ylmethyl)cyclopropanecarboximidamide

C9H16N2S — CID 107298354

IUPACN'-(thiolan-3-ylmethyl)cyclopropanecarboximidamide
SMILESN/C(=N\CC1CCSC1)C1CC1
InChIInChI=1S/C9H16N2S/c10-9(8-1-2-8)11-5-7-3-4-12-6-7/h7-8H,1-6H2,(H2,10,11)
InChIKeyMODLRSFVBUYKCT-UHFFFAOYSA-N
MW184.31 g/mol
LogP1.51
Rot. Bonds3

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

N'-(thiolan-3-ylmethyl)cyclopropanecarboximidamide (PubChem CID 107298354) has the molecular formula C9H16N2S and a molecular weight of 184.31 g/mol. Its IUPAC name is N'-(thiolan-3-ylmethyl)cyclopropanecarboximidamide.

Molecular Properties

Compound NameN'-(thiolan-3-ylmethyl)cyclopropanecarboximidamide
PubChem CID107298354
Molecular FormulaC9H16N2S
Molecular Weight184.31 g/mol
Exact Mass184.10
IUPAC NameN'-(thiolan-3-ylmethyl)cyclopropanecarboximidamide
SMILESN/C(=N\CC1CCSC1)C1CC1
InChIInChI=1S/C9H16N2S/c10-9(8-1-2-8)11-5-7-3-4-12-6-7/h7-8H,1-6H2,(H2,10,11)
InChIKeyMODLRSFVBUYKCT-UHFFFAOYSA-N
XLogP1.51
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 51.51
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'}

Analyze N'-(thiolan-3-ylmethyl)cyclopropanecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(diaminomethylidene)-2-(thian-3-ylmethyl)guanidine
CID 130816153
1-amino-3-cyclohexyl-2-(thiolan-3-ylmethyl)guanidine
CID 107299078
N'-hydroxy-3-(thiolan-3-ylmethylamino)propanimidamide
CID 107296459
N'-[(2-methylcyclohexyl)methyl]cyclohexanecarboximidamide
CID 63176723
sodium thiolan-3-ylmethanethiolate
CID 20706984
N'-(thian-4-ylmethyl)morpholine-4-carboximidamide;hydroiodide
CID 119146805
4-(aminomethyl)-N-(thiolan-3-ylmethyl)cyclohexane-1-carboxamide
CID 107295920
thiolan-3-ylmethyl acetate
CID 130652151
N-(thiolan-3-ylmethyl)butanamide
CID 107298413
3-(2-methylprop-2-enyl)thiolane
CID 89152874
1-(thiolan-3-yl)propan-2-one
CID 82651393
3-(2,2-dimethylpropyl)thiolane
CID 58797584

Frequently Asked Questions

What is the IUPAC name of N'-(thiolan-3-ylmethyl)cyclopropanecarboximidamide?
The IUPAC name of N'-(thiolan-3-ylmethyl)cyclopropanecarboximidamide (CID 107298354) is N'-(thiolan-3-ylmethyl)cyclopropanecarboximidamide.
What is the SMILES notation for N'-(thiolan-3-ylmethyl)cyclopropanecarboximidamide?
The canonical SMILES for N'-(thiolan-3-ylmethyl)cyclopropanecarboximidamide is N/C(=N\CC1CCSC1)C1CC1.
What is the InChIKey of N'-(thiolan-3-ylmethyl)cyclopropanecarboximidamide?
The InChIKey is MODLRSFVBUYKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2S/c10-9(8-1-2-8)11-5-7-3-4-12-6-7/h7-8H,1-6H2,(H2,10,11).
What are the key properties of N'-(thiolan-3-ylmethyl)cyclopropanecarboximidamide?
N'-(thiolan-3-ylmethyl)cyclopropanecarboximidamide has a molecular weight of 184.31 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(thiolan-3-ylmethyl)cyclopropanecarboximidamide is sourced from PubChem (CID 107298354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).