N'-cyclopropyl-2-methylsulfonylethanimidamide

C6H12N2O2S — CID 63182120

IUPACN'-cyclopropyl-2-methylsulfonylethanimidamide
SMILESCS(=O)(=O)C/C(N)=N/C1CC1
InChIInChI=1S/C6H12N2O2S/c1-11(9,10)4-6(7)8-5-2-3-5/h5H,2-4H2,1H3,(H2,7,8)
InChIKeyQXHKFJJTXFEKCV-UHFFFAOYSA-N
MW176.24 g/mol
LogP-0.45
Rot. Bonds3

About N'-cyclopropyl-2-methylsulfonylethanimidamide

N'-cyclopropyl-2-methylsulfonylethanimidamide (PubChem CID 63182120) has the molecular formula C6H12N2O2S and a molecular weight of 176.24 g/mol. Its IUPAC name is N'-cyclopropyl-2-methylsulfonylethanimidamide.

Molecular Properties

Compound NameN'-cyclopropyl-2-methylsulfonylethanimidamide
PubChem CID63182120
Molecular FormulaC6H12N2O2S
Molecular Weight176.24 g/mol
Exact Mass176.06
IUPAC NameN'-cyclopropyl-2-methylsulfonylethanimidamide
SMILESCS(=O)(=O)C/C(N)=N/C1CC1
InChIInChI=1S/C6H12N2O2S/c1-11(9,10)4-6(7)8-5-2-3-5/h5H,2-4H2,1H3,(H2,7,8)
InChIKeyQXHKFJJTXFEKCV-UHFFFAOYSA-N
XLogP-0.45
TPSA72.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 5-0.45
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'-cyclopropyl-2-methylsulfonylethanimidamide?
The IUPAC name of N'-cyclopropyl-2-methylsulfonylethanimidamide (CID 63182120) is N'-cyclopropyl-2-methylsulfonylethanimidamide.
What is the SMILES notation for N'-cyclopropyl-2-methylsulfonylethanimidamide?
The canonical SMILES for N'-cyclopropyl-2-methylsulfonylethanimidamide is CS(=O)(=O)C/C(N)=N/C1CC1.
What is the InChIKey of N'-cyclopropyl-2-methylsulfonylethanimidamide?
The InChIKey is QXHKFJJTXFEKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2S/c1-11(9,10)4-6(7)8-5-2-3-5/h5H,2-4H2,1H3,(H2,7,8).
What are the key properties of N'-cyclopropyl-2-methylsulfonylethanimidamide?
N'-cyclopropyl-2-methylsulfonylethanimidamide has a molecular weight of 176.24 g/mol, XLogP of -0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-2-methylsulfonylethanimidamide is sourced from PubChem (CID 63182120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).