N'-hydroxy-2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanimidamide

C9H17N5O3S — CID 104873862

IUPACN'-hydroxy-2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanimidamide
SMILESCc1[nH]ncc1S(=O)(=O)NCC(C)(C)C(N)=NO
InChIInChI=1S/C9H17N5O3S/c1-6-7(4-11-13-6)18(16,17)12-5-9(2,3)8(10)14-15/h4,12,15H,5H2,1-3H3,(H2,10,14)(H,11,13)
InChIKeyPCEZKDKCXDHEGM-UHFFFAOYSA-N
MW275.33 g/mol
LogP-0.23
Rot. Bonds5

About N'-hydroxy-2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanimidamide

N'-hydroxy-2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanimidamide (PubChem CID 104873862) has the molecular formula C9H17N5O3S and a molecular weight of 275.33 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanimidamide
PubChem CID104873862
Molecular FormulaC9H17N5O3S
Molecular Weight275.33 g/mol
Exact Mass275.11
IUPAC NameN'-hydroxy-2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanimidamide
SMILESCc1[nH]ncc1S(=O)(=O)NCC(C)(C)C(N)=NO
InChIInChI=1S/C9H17N5O3S/c1-6-7(4-11-13-6)18(16,17)12-5-9(2,3)8(10)14-15/h4,12,15H,5H2,1-3H3,(H2,10,14)(H,11,13)
InChIKeyPCEZKDKCXDHEGM-UHFFFAOYSA-N
XLogP-0.23
TPSA133.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-0.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-methyl-1H-pyrazole-4-sulfonamide
CID 60911472
5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 60911754
5-methyl-N-(3,3,3-trifluoropropyl)-1H-pyrazole-4-sulfonamide
CID 63227422
5-methyl-N-(4,4,4-trifluorobutyl)-1H-pyrazole-4-sulfonamide
CID 79040811
N-(2,2-difluoroethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 79089877
5-methyl-N-(2,2,3,3-tetrafluoropropyl)-1H-pyrazole-4-sulfonamide
CID 106293627
5-methyl-N-(4,4,4-trifluorobutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 113461593
N-(3-amino-2,2-difluoropropyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 114384024
5-methyl-N-(5,5,5-trifluoropentyl)-1H-pyrazole-4-sulfonamide
CID 115486686
N-(3-amino-2,2-difluoropropyl)-5-methyl-1H-pyrazole-4-sulfonamide;hydrochloride
CID 120404587
N'-hydroxy-4-methylsulfonyl-1H-pyrazole-5-carboximidamide
CID 136466339
5-methyl-1H-pyrazole-4-sulfonic acid
CID 44725591

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanimidamide (CID 104873862) is N'-hydroxy-2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanimidamide is Cc1[nH]ncc1S(=O)(=O)NCC(C)(C)C(N)=NO.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanimidamide?
The InChIKey is PCEZKDKCXDHEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O3S/c1-6-7(4-11-13-6)18(16,17)12-5-9(2,3)8(10)14-15/h4,12,15H,5H2,1-3H3,(H2,10,14)(H,11,13).
What are the key properties of N'-hydroxy-2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanimidamide?
N'-hydroxy-2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanimidamide has a molecular weight of 275.33 g/mol, XLogP of -0.23, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-3-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]propanimidamide is sourced from PubChem (CID 104873862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).