2-cyclopropyl-2-(propylsulfamoylamino)ethanimidamide

C8H18N4O2S — CID 114813540

IUPAC2-cyclopropyl-2-(propylsulfamoylamino)ethanimidamide
SMILES[H]/N=C(\N)C(NS(=O)(=O)NCCC)C1CC1
InChIInChI=1S/C8H18N4O2S/c1-2-5-11-15(13,14)12-7(8(9)10)6-3-4-6/h6-7,11-12H,2-5H2,1H3,(H3,9,10)
InChIKeyUFBXINGHBUZPHC-UHFFFAOYSA-N
MW234.32 g/mol
LogP-0.47
Rot. Bonds7

About 2-cyclopropyl-2-(propylsulfamoylamino)ethanimidamide

2-cyclopropyl-2-(propylsulfamoylamino)ethanimidamide (PubChem CID 114813540) has the molecular formula C8H18N4O2S and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-cyclopropyl-2-(propylsulfamoylamino)ethanimidamide.

Molecular Properties

Compound Name2-cyclopropyl-2-(propylsulfamoylamino)ethanimidamide
PubChem CID114813540
Molecular FormulaC8H18N4O2S
Molecular Weight234.32 g/mol
Exact Mass234.12
IUPAC Name2-cyclopropyl-2-(propylsulfamoylamino)ethanimidamide
SMILES[H]/N=C(\N)C(NS(=O)(=O)NCCC)C1CC1
InChIInChI=1S/C8H18N4O2S/c1-2-5-11-15(13,14)12-7(8(9)10)6-3-4-6/h6-7,11-12H,2-5H2,1H3,(H3,9,10)
InChIKeyUFBXINGHBUZPHC-UHFFFAOYSA-N
XLogP-0.47
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 5-0.47
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-(propylsulfamoylamino)ethanimidamide?
The IUPAC name of 2-cyclopropyl-2-(propylsulfamoylamino)ethanimidamide (CID 114813540) is 2-cyclopropyl-2-(propylsulfamoylamino)ethanimidamide.
What is the SMILES notation for 2-cyclopropyl-2-(propylsulfamoylamino)ethanimidamide?
The canonical SMILES for 2-cyclopropyl-2-(propylsulfamoylamino)ethanimidamide is [H]/N=C(\N)C(NS(=O)(=O)NCCC)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(propylsulfamoylamino)ethanimidamide?
The InChIKey is UFBXINGHBUZPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O2S/c1-2-5-11-15(13,14)12-7(8(9)10)6-3-4-6/h6-7,11-12H,2-5H2,1H3,(H3,9,10).
What are the key properties of 2-cyclopropyl-2-(propylsulfamoylamino)ethanimidamide?
2-cyclopropyl-2-(propylsulfamoylamino)ethanimidamide has a molecular weight of 234.32 g/mol, XLogP of -0.47, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(propylsulfamoylamino)ethanimidamide is sourced from PubChem (CID 114813540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).