2-cyclopropyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]ethanimidamide

C9H15N5O2S — CID 104710773

IUPAC2-cyclopropyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]ethanimidamide
SMILES[H]/N=C(\N)C(NS(=O)(=O)c1ccnn1C)C1CC1
InChIInChI=1S/C9H15N5O2S/c1-14-7(4-5-12-14)17(15,16)13-8(9(10)11)6-2-3-6/h4-6,8,13H,2-3H2,1H3,(H3,10,11)
InChIKeyMIDAQEGXLWTGRZ-UHFFFAOYSA-N
MW257.32 g/mol
LogP-0.59
Rot. Bonds5

About 2-cyclopropyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]ethanimidamide

2-cyclopropyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]ethanimidamide (PubChem CID 104710773) has the molecular formula C9H15N5O2S and a molecular weight of 257.32 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]ethanimidamide.

Molecular Properties

Compound Name2-cyclopropyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]ethanimidamide
PubChem CID104710773
Molecular FormulaC9H15N5O2S
Molecular Weight257.32 g/mol
Exact Mass257.09
IUPAC Name2-cyclopropyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]ethanimidamide
SMILES[H]/N=C(\N)C(NS(=O)(=O)c1ccnn1C)C1CC1
InChIInChI=1S/C9H15N5O2S/c1-14-7(4-5-12-14)17(15,16)13-8(9(10)11)6-2-3-6/h4-6,8,13H,2-3H2,1H3,(H3,10,11)
InChIKeyMIDAQEGXLWTGRZ-UHFFFAOYSA-N
XLogP-0.59
TPSA113.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(1-pyrrolidin-3-ylethyl)pyrazole-3-sulfonamide
CID 104709488
N-[(2R)-1-hydroxybutan-2-yl]-2-methylpyrazole-3-sulfonamide
CID 104773164
N-(1-hydroxypropan-2-yl)-2-methylpyrazole-3-sulfonamide
CID 104710044
N'-hydroxy-3-[(2-methylpyrazol-3-yl)sulfonylamino]pentanimidamide
CID 104710482
4-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]benzenecarboximidamide
CID 104710764
5-[(2-methylpyrazol-3-yl)sulfonylamino]pentanimidamide
CID 113444065
N-[(2S)-1-aminopropan-2-yl]-2-methylpyrazole-3-sulfonamide;hydrochloride
CID 120713110
N-(2-aminocyclohexyl)-2-methylpyrazole-3-sulfonamide
CID 113443991
N-(1-hydroxypentan-3-yl)-2-methylpyrazole-3-sulfonamide
CID 104773039
N-cyclopentyl-2-methylpyrazole-3-sulfonamide
CID 104709770
3-[(2-methylpyrazol-3-yl)sulfonylamino]pentanoic acid
CID 104709744
2-[(2-methylpyrazol-3-yl)sulfonylamino]acetamide
CID 104709783

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]ethanimidamide?
The IUPAC name of 2-cyclopropyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]ethanimidamide (CID 104710773) is 2-cyclopropyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]ethanimidamide.
What is the SMILES notation for 2-cyclopropyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]ethanimidamide?
The canonical SMILES for 2-cyclopropyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]ethanimidamide is [H]/N=C(\N)C(NS(=O)(=O)c1ccnn1C)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]ethanimidamide?
The InChIKey is MIDAQEGXLWTGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2S/c1-14-7(4-5-12-14)17(15,16)13-8(9(10)11)6-2-3-6/h4-6,8,13H,2-3H2,1H3,(H3,10,11).
What are the key properties of 2-cyclopropyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]ethanimidamide?
2-cyclopropyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]ethanimidamide has a molecular weight of 257.32 g/mol, XLogP of -0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(2-methylpyrazol-3-yl)sulfonylamino]ethanimidamide is sourced from PubChem (CID 104710773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).