N'-cyclopropyl-2-methylsulfonylpropanimidamide

C7H14N2O2S — CID 116633495

IUPACN'-cyclopropyl-2-methylsulfonylpropanimidamide
SMILESCC(/C(N)=N/C1CC1)S(C)(=O)=O
InChIInChI=1S/C7H14N2O2S/c1-5(12(2,10)11)7(8)9-6-3-4-6/h5-6H,3-4H2,1-2H3,(H2,8,9)
InChIKeyQXNIZMHDAANXFN-UHFFFAOYSA-N
MW190.27 g/mol
LogP-0.06
Rot. Bonds3

About N'-cyclopropyl-2-methylsulfonylpropanimidamide

N'-cyclopropyl-2-methylsulfonylpropanimidamide (PubChem CID 116633495) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is N'-cyclopropyl-2-methylsulfonylpropanimidamide.

Molecular Properties

Compound NameN'-cyclopropyl-2-methylsulfonylpropanimidamide
PubChem CID116633495
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC NameN'-cyclopropyl-2-methylsulfonylpropanimidamide
SMILESCC(/C(N)=N/C1CC1)S(C)(=O)=O
InChIInChI=1S/C7H14N2O2S/c1-5(12(2,10)11)7(8)9-6-3-4-6/h5-6H,3-4H2,1-2H3,(H2,8,9)
InChIKeyQXNIZMHDAANXFN-UHFFFAOYSA-N
XLogP-0.06
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-cyclopropyl-2-methylsulfonylpropanimidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-2-methylsulfonylpropanimidamide?
The IUPAC name of N'-cyclopropyl-2-methylsulfonylpropanimidamide (CID 116633495) is N'-cyclopropyl-2-methylsulfonylpropanimidamide.
What is the SMILES notation for N'-cyclopropyl-2-methylsulfonylpropanimidamide?
The canonical SMILES for N'-cyclopropyl-2-methylsulfonylpropanimidamide is CC(/C(N)=N/C1CC1)S(C)(=O)=O.
What is the InChIKey of N'-cyclopropyl-2-methylsulfonylpropanimidamide?
The InChIKey is QXNIZMHDAANXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S/c1-5(12(2,10)11)7(8)9-6-3-4-6/h5-6H,3-4H2,1-2H3,(H2,8,9).
What are the key properties of N'-cyclopropyl-2-methylsulfonylpropanimidamide?
N'-cyclopropyl-2-methylsulfonylpropanimidamide has a molecular weight of 190.27 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-2-methylsulfonylpropanimidamide is sourced from PubChem (CID 116633495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).