N'-[(1-methylsulfonylcyclopropyl)methyl]ethanimidamide

C7H14N2O2S — CID 131007288

IUPACN'-[(1-methylsulfonylcyclopropyl)methyl]ethanimidamide
SMILESC/C(N)=N\CC1(S(C)(=O)=O)CC1
InChIInChI=1S/C7H14N2O2S/c1-6(8)9-5-7(3-4-7)12(2,10)11/h3-5H2,1-2H3,(H2,8,9)
InChIKeyANEYHONZYLTPIH-UHFFFAOYSA-N
MW190.27 g/mol
LogP-0.06
Rot. Bonds3

About N'-[(1-methylsulfonylcyclopropyl)methyl]ethanimidamide

N'-[(1-methylsulfonylcyclopropyl)methyl]ethanimidamide (PubChem CID 131007288) has the molecular formula C7H14N2O2S and a molecular weight of 190.27 g/mol. Its IUPAC name is N'-[(1-methylsulfonylcyclopropyl)methyl]ethanimidamide.

Molecular Properties

Compound NameN'-[(1-methylsulfonylcyclopropyl)methyl]ethanimidamide
PubChem CID131007288
Molecular FormulaC7H14N2O2S
Molecular Weight190.27 g/mol
Exact Mass190.08
IUPAC NameN'-[(1-methylsulfonylcyclopropyl)methyl]ethanimidamide
SMILESC/C(N)=N\CC1(S(C)(=O)=O)CC1
InChIInChI=1S/C7H14N2O2S/c1-6(8)9-5-7(3-4-7)12(2,10)11/h3-5H2,1-2H3,(H2,8,9)
InChIKeyANEYHONZYLTPIH-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'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(1-methylsulfonylcyclopropyl)methyl]ethanimidamide?
The IUPAC name of N'-[(1-methylsulfonylcyclopropyl)methyl]ethanimidamide (CID 131007288) is N'-[(1-methylsulfonylcyclopropyl)methyl]ethanimidamide.
What is the SMILES notation for N'-[(1-methylsulfonylcyclopropyl)methyl]ethanimidamide?
The canonical SMILES for N'-[(1-methylsulfonylcyclopropyl)methyl]ethanimidamide is C/C(N)=N\CC1(S(C)(=O)=O)CC1.
What is the InChIKey of N'-[(1-methylsulfonylcyclopropyl)methyl]ethanimidamide?
The InChIKey is ANEYHONZYLTPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2S/c1-6(8)9-5-7(3-4-7)12(2,10)11/h3-5H2,1-2H3,(H2,8,9).
What are the key properties of N'-[(1-methylsulfonylcyclopropyl)methyl]ethanimidamide?
N'-[(1-methylsulfonylcyclopropyl)methyl]ethanimidamide 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'-[(1-methylsulfonylcyclopropyl)methyl]ethanimidamide is sourced from PubChem (CID 131007288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).