2-cyclopropyl-2-(methylsulfamoylamino)ethanimidamide

C6H14N4O2S — CID 114813536

IUPAC2-cyclopropyl-2-(methylsulfamoylamino)ethanimidamide
SMILES[H]/N=C(\N)C(NS(=O)(=O)NC)C1CC1
InChIInChI=1S/C6H14N4O2S/c1-9-13(11,12)10-5(6(7)8)4-2-3-4/h4-5,9-10H,2-3H2,1H3,(H3,7,8)
InChIKeyDMMHDTQCZUETJV-UHFFFAOYSA-N
MW206.27 g/mol
LogP-1.25
Rot. Bonds5

About 2-cyclopropyl-2-(methylsulfamoylamino)ethanimidamide

2-cyclopropyl-2-(methylsulfamoylamino)ethanimidamide (PubChem CID 114813536) has the molecular formula C6H14N4O2S and a molecular weight of 206.27 g/mol. Its IUPAC name is 2-cyclopropyl-2-(methylsulfamoylamino)ethanimidamide.

Molecular Properties

Compound Name2-cyclopropyl-2-(methylsulfamoylamino)ethanimidamide
PubChem CID114813536
Molecular FormulaC6H14N4O2S
Molecular Weight206.27 g/mol
Exact Mass206.08
IUPAC Name2-cyclopropyl-2-(methylsulfamoylamino)ethanimidamide
SMILES[H]/N=C(\N)C(NS(=O)(=O)NC)C1CC1
InChIInChI=1S/C6H14N4O2S/c1-9-13(11,12)10-5(6(7)8)4-2-3-4/h4-5,9-10H,2-3H2,1H3,(H3,7,8)
InChIKeyDMMHDTQCZUETJV-UHFFFAOYSA-N
XLogP-1.25
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 5-1.25
H-Bond Donors ≤ 54
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 2-cyclopropyl-2-(methylsulfamoylamino)ethanimidamide?
The IUPAC name of 2-cyclopropyl-2-(methylsulfamoylamino)ethanimidamide (CID 114813536) is 2-cyclopropyl-2-(methylsulfamoylamino)ethanimidamide.
What is the SMILES notation for 2-cyclopropyl-2-(methylsulfamoylamino)ethanimidamide?
The canonical SMILES for 2-cyclopropyl-2-(methylsulfamoylamino)ethanimidamide is [H]/N=C(\N)C(NS(=O)(=O)NC)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(methylsulfamoylamino)ethanimidamide?
The InChIKey is DMMHDTQCZUETJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N4O2S/c1-9-13(11,12)10-5(6(7)8)4-2-3-4/h4-5,9-10H,2-3H2,1H3,(H3,7,8).
What are the key properties of 2-cyclopropyl-2-(methylsulfamoylamino)ethanimidamide?
2-cyclopropyl-2-(methylsulfamoylamino)ethanimidamide has a molecular weight of 206.27 g/mol, XLogP of -1.25, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(methylsulfamoylamino)ethanimidamide is sourced from PubChem (CID 114813536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).