2-cyclopropyl-2-(2-methylpropylsulfamoylamino)ethanimidamide

C9H20N4O2S — CID 114816956

IUPAC2-cyclopropyl-2-(2-methylpropylsulfamoylamino)ethanimidamide
SMILES[H]/N=C(\N)C(NS(=O)(=O)NCC(C)C)C1CC1
InChIInChI=1S/C9H20N4O2S/c1-6(2)5-12-16(14,15)13-8(9(10)11)7-3-4-7/h6-8,12-13H,3-5H2,1-2H3,(H3,10,11)
InChIKeyCWZAGLOGDNUZOL-UHFFFAOYSA-N
MW248.35 g/mol
LogP-0.22
Rot. Bonds7

About 2-cyclopropyl-2-(2-methylpropylsulfamoylamino)ethanimidamide

2-cyclopropyl-2-(2-methylpropylsulfamoylamino)ethanimidamide (PubChem CID 114816956) has the molecular formula C9H20N4O2S and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-cyclopropyl-2-(2-methylpropylsulfamoylamino)ethanimidamide.

Molecular Properties

Compound Name2-cyclopropyl-2-(2-methylpropylsulfamoylamino)ethanimidamide
PubChem CID114816956
Molecular FormulaC9H20N4O2S
Molecular Weight248.35 g/mol
Exact Mass248.13
IUPAC Name2-cyclopropyl-2-(2-methylpropylsulfamoylamino)ethanimidamide
SMILES[H]/N=C(\N)C(NS(=O)(=O)NCC(C)C)C1CC1
InChIInChI=1S/C9H20N4O2S/c1-6(2)5-12-16(14,15)13-8(9(10)11)7-3-4-7/h6-8,12-13H,3-5H2,1-2H3,(H3,10,11)
InChIKeyCWZAGLOGDNUZOL-UHFFFAOYSA-N
XLogP-0.22
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 5-0.22
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-(2-methylpropylsulfamoylamino)ethanimidamide?
The IUPAC name of 2-cyclopropyl-2-(2-methylpropylsulfamoylamino)ethanimidamide (CID 114816956) is 2-cyclopropyl-2-(2-methylpropylsulfamoylamino)ethanimidamide.
What is the SMILES notation for 2-cyclopropyl-2-(2-methylpropylsulfamoylamino)ethanimidamide?
The canonical SMILES for 2-cyclopropyl-2-(2-methylpropylsulfamoylamino)ethanimidamide is [H]/N=C(\N)C(NS(=O)(=O)NCC(C)C)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(2-methylpropylsulfamoylamino)ethanimidamide?
The InChIKey is CWZAGLOGDNUZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O2S/c1-6(2)5-12-16(14,15)13-8(9(10)11)7-3-4-7/h6-8,12-13H,3-5H2,1-2H3,(H3,10,11).
What are the key properties of 2-cyclopropyl-2-(2-methylpropylsulfamoylamino)ethanimidamide?
2-cyclopropyl-2-(2-methylpropylsulfamoylamino)ethanimidamide has a molecular weight of 248.35 g/mol, XLogP of -0.22, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(2-methylpropylsulfamoylamino)ethanimidamide is sourced from PubChem (CID 114816956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).