5-[(2-methylpyrazol-3-yl)sulfonylamino]pentanimidamide

C9H17N5O2S — CID 113444065

IUPAC5-[(2-methylpyrazol-3-yl)sulfonylamino]pentanimidamide
SMILES[H]/N=C(\N)CCCCNS(=O)(=O)c1ccnn1C
InChIInChI=1S/C9H17N5O2S/c1-14-9(5-7-12-14)17(15,16)13-6-3-2-4-8(10)11/h5,7,13H,2-4,6H2,1H3,(H3,10,11)
InChIKeyJWMGJJGLBBBRDV-UHFFFAOYSA-N
MW259.33 g/mol
LogP-0.20
Rot. Bonds7

About 5-[(2-methylpyrazol-3-yl)sulfonylamino]pentanimidamide

5-[(2-methylpyrazol-3-yl)sulfonylamino]pentanimidamide (PubChem CID 113444065) has the molecular formula C9H17N5O2S and a molecular weight of 259.33 g/mol. Its IUPAC name is 5-[(2-methylpyrazol-3-yl)sulfonylamino]pentanimidamide.

Molecular Properties

Compound Name5-[(2-methylpyrazol-3-yl)sulfonylamino]pentanimidamide
PubChem CID113444065
Molecular FormulaC9H17N5O2S
Molecular Weight259.33 g/mol
Exact Mass259.11
IUPAC Name5-[(2-methylpyrazol-3-yl)sulfonylamino]pentanimidamide
SMILES[H]/N=C(\N)CCCCNS(=O)(=O)c1ccnn1C
InChIInChI=1S/C9H17N5O2S/c1-14-9(5-7-12-14)17(15,16)13-6-3-2-4-8(10)11/h5,7,13H,2-4,6H2,1H3,(H3,10,11)
InChIKeyJWMGJJGLBBBRDV-UHFFFAOYSA-N
XLogP-0.20
TPSA113.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-aminopentyl)-2-methylpyrazole-3-sulfonamide
CID 104709354
N-(6-hydroxyhexyl)-2-methylpyrazole-3-sulfonamide
CID 113451663
N-(5-chloropentyl)-2-methylpyrazole-3-sulfonamide
CID 107322765
N-(6-bromohexyl)-2-methylpyrazole-3-sulfonamide
CID 107848847
2-methyl-N-[3-(methylamino)propyl]pyrazole-3-sulfonamide
CID 104709474
ethyl 4-[(2-methylpyrazol-3-yl)sulfonylamino]butanoate
CID 113444020
4-[[(2-methylpyrazol-3-yl)sulfonylamino]methyl]benzenecarboximidamide
CID 104710764
2-[(2-methylpyrazol-3-yl)sulfonylamino]acetamide
CID 104709783
N-(4-bromopentyl)-2-methylpyrazole-3-sulfonamide
CID 106135642
N-(5-chloro-4-methylpentyl)-2-methylpyrazole-3-sulfonamide
CID 106158843
2-methyl-N-[2-(propan-2-ylamino)ethyl]pyrazole-3-sulfonamide
CID 104710232
2-methyl-N-[2-(propylamino)ethyl]pyrazole-3-sulfonamide
CID 104710231

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylpyrazol-3-yl)sulfonylamino]pentanimidamide?
The IUPAC name of 5-[(2-methylpyrazol-3-yl)sulfonylamino]pentanimidamide (CID 113444065) is 5-[(2-methylpyrazol-3-yl)sulfonylamino]pentanimidamide.
What is the SMILES notation for 5-[(2-methylpyrazol-3-yl)sulfonylamino]pentanimidamide?
The canonical SMILES for 5-[(2-methylpyrazol-3-yl)sulfonylamino]pentanimidamide is [H]/N=C(\N)CCCCNS(=O)(=O)c1ccnn1C.
What is the InChIKey of 5-[(2-methylpyrazol-3-yl)sulfonylamino]pentanimidamide?
The InChIKey is JWMGJJGLBBBRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2S/c1-14-9(5-7-12-14)17(15,16)13-6-3-2-4-8(10)11/h5,7,13H,2-4,6H2,1H3,(H3,10,11).
What are the key properties of 5-[(2-methylpyrazol-3-yl)sulfonylamino]pentanimidamide?
5-[(2-methylpyrazol-3-yl)sulfonylamino]pentanimidamide has a molecular weight of 259.33 g/mol, XLogP of -0.20, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylpyrazol-3-yl)sulfonylamino]pentanimidamide is sourced from PubChem (CID 113444065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).