1-methylpyrrole-3-sulfonohydrazide

C5H9N3O2S — CID 82280503

IUPAC1-methylpyrrole-3-sulfonohydrazide
SMILESCn1ccc(S(=O)(=O)NN)c1
InChIInChI=1S/C5H9N3O2S/c1-8-3-2-5(4-8)11(9,10)7-6/h2-4,7H,6H2,1H3
InChIKeyKHKHMCJLQIZPOT-UHFFFAOYSA-N
MW175.21 g/mol
LogP-0.82
Rot. Bonds2

About 1-methylpyrrole-3-sulfonohydrazide

1-methylpyrrole-3-sulfonohydrazide (PubChem CID 82280503) has the molecular formula C5H9N3O2S and a molecular weight of 175.21 g/mol. Its IUPAC name is 1-methylpyrrole-3-sulfonohydrazide.

Molecular Properties

Compound Name1-methylpyrrole-3-sulfonohydrazide
PubChem CID82280503
Molecular FormulaC5H9N3O2S
Molecular Weight175.21 g/mol
Exact Mass175.04
IUPAC Name1-methylpyrrole-3-sulfonohydrazide
SMILESCn1ccc(S(=O)(=O)NN)c1
InChIInChI=1S/C5H9N3O2S/c1-8-3-2-5(4-8)11(9,10)7-6/h2-4,7H,6H2,1H3
InChIKeyKHKHMCJLQIZPOT-UHFFFAOYSA-N
XLogP-0.82
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-1-methylpyrrole-3-sulfonamide
CID 63194324
N-[1-(4-aminophenyl)ethyl]-1-methylpyrrole-3-sulfonamide
CID 116650244
N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-3-sulfonamide
CID 43501788
1-methyl-3-propan-2-ylsulfonylpyrrole
CID 130377708
N-(3-hydroxy-2-methylpropyl)-1-methylpyrrole-3-sulfonamide
CID 65033956
N-(3-amino-4-methoxyphenyl)-1-methylpyrrole-3-sulfonamide
CID 43604632
N-(4-amino-3-methoxyphenyl)-1-methylpyrrole-3-sulfonamide
CID 43604994
2-methyl-3-[(1-methylpyrrol-3-yl)sulfonylamino]propanoic acid
CID 62675008
3-methyl-3-[(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid
CID 64671378
N-[1-(hydroxymethyl)cyclopentyl]-1-methylpyrrole-3-sulfonamide
CID 62519995
1-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrrole-3-sulfonamide
CID 63822247
N-(2-hydroxy-1-phenylethyl)-1-methylpyrrole-3-sulfonamide
CID 63182937

Frequently Asked Questions

What is the IUPAC name of 1-methylpyrrole-3-sulfonohydrazide?
The IUPAC name of 1-methylpyrrole-3-sulfonohydrazide (CID 82280503) is 1-methylpyrrole-3-sulfonohydrazide.
What is the SMILES notation for 1-methylpyrrole-3-sulfonohydrazide?
The canonical SMILES for 1-methylpyrrole-3-sulfonohydrazide is Cn1ccc(S(=O)(=O)NN)c1.
What is the InChIKey of 1-methylpyrrole-3-sulfonohydrazide?
The InChIKey is KHKHMCJLQIZPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2S/c1-8-3-2-5(4-8)11(9,10)7-6/h2-4,7H,6H2,1H3.
What are the key properties of 1-methylpyrrole-3-sulfonohydrazide?
1-methylpyrrole-3-sulfonohydrazide has a molecular weight of 175.21 g/mol, XLogP of -0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrrole-3-sulfonohydrazide is sourced from PubChem (CID 82280503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).