N'-hydroxy-2-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]piperidin-1-yl]ethanimidamide

C11H20N6O3S — CID 77002496

IUPACN'-hydroxy-2-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]piperidin-1-yl]ethanimidamide
SMILESCc1[nH]ncc1S(=O)(=O)NC1CCN(CC(N)=NO)CC1
InChIInChI=1S/C11H20N6O3S/c1-8-10(6-13-14-8)21(19,20)16-9-2-4-17(5-3-9)7-11(12)15-18/h6,9,16,18H,2-5,7H2,1H3,(H2,12,15)(H,13,14)
InChIKeyDNSRYUPGDAUMNW-UHFFFAOYSA-N
MW316.39 g/mol
LogP-0.79
Rot. Bonds5

About N'-hydroxy-2-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]piperidin-1-yl]ethanimidamide

N'-hydroxy-2-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]piperidin-1-yl]ethanimidamide (PubChem CID 77002496) has the molecular formula C11H20N6O3S and a molecular weight of 316.39 g/mol. Its IUPAC name is N'-hydroxy-2-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]piperidin-1-yl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]piperidin-1-yl]ethanimidamide
PubChem CID77002496
Molecular FormulaC11H20N6O3S
Molecular Weight316.39 g/mol
Exact Mass316.13
IUPAC NameN'-hydroxy-2-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]piperidin-1-yl]ethanimidamide
SMILESCc1[nH]ncc1S(=O)(=O)NC1CCN(CC(N)=NO)CC1
InChIInChI=1S/C11H20N6O3S/c1-8-10(6-13-14-8)21(19,20)16-9-2-4-17(5-3-9)7-11(12)15-18/h6,9,16,18H,2-5,7H2,1H3,(H2,12,15)(H,13,14)
InChIKeyDNSRYUPGDAUMNW-UHFFFAOYSA-N
XLogP-0.79
TPSA136.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 5-0.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]piperidin-1-yl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]piperidin-1-yl]ethanimidamide (CID 77002496) is N'-hydroxy-2-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]piperidin-1-yl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]piperidin-1-yl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]piperidin-1-yl]ethanimidamide is Cc1[nH]ncc1S(=O)(=O)NC1CCN(CC(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-2-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]piperidin-1-yl]ethanimidamide?
The InChIKey is DNSRYUPGDAUMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O3S/c1-8-10(6-13-14-8)21(19,20)16-9-2-4-17(5-3-9)7-11(12)15-18/h6,9,16,18H,2-5,7H2,1H3,(H2,12,15)(H,13,14).
What are the key properties of N'-hydroxy-2-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]piperidin-1-yl]ethanimidamide?
N'-hydroxy-2-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]piperidin-1-yl]ethanimidamide has a molecular weight of 316.39 g/mol, XLogP of -0.79, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]piperidin-1-yl]ethanimidamide is sourced from PubChem (CID 77002496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).