5-(hydrazinecarbonyl)-N,N,1-trimethylpyrrole-3-sulfonamide

C8H14N4O3S — CID 16780167

IUPAC5-(hydrazinecarbonyl)-N,N,1-trimethylpyrrole-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)NN)n(C)c1
InChIInChI=1S/C8H14N4O3S/c1-11(2)16(14,15)6-4-7(8(13)10-9)12(3)5-6/h4-5H,9H2,1-3H3,(H,10,13)
InChIKeyIUOWFMSKKFYYSY-UHFFFAOYSA-N
MW246.29 g/mol
LogP-1.12
Rot. Bonds3

About 5-(hydrazinecarbonyl)-N,N,1-trimethylpyrrole-3-sulfonamide

5-(hydrazinecarbonyl)-N,N,1-trimethylpyrrole-3-sulfonamide (PubChem CID 16780167) has the molecular formula C8H14N4O3S and a molecular weight of 246.29 g/mol. Its IUPAC name is 5-(hydrazinecarbonyl)-N,N,1-trimethylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(hydrazinecarbonyl)-N,N,1-trimethylpyrrole-3-sulfonamide
PubChem CID16780167
Molecular FormulaC8H14N4O3S
Molecular Weight246.29 g/mol
Exact Mass246.08
IUPAC Name5-(hydrazinecarbonyl)-N,N,1-trimethylpyrrole-3-sulfonamide
SMILESCN(C)S(=O)(=O)c1cc(C(=O)NN)n(C)c1
InChIInChI=1S/C8H14N4O3S/c1-11(2)16(14,15)6-4-7(8(13)10-9)12(3)5-6/h4-5H,9H2,1-3H3,(H,10,13)
InChIKeyIUOWFMSKKFYYSY-UHFFFAOYSA-N
XLogP-1.12
TPSA97.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[3-aminopropyl(methyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 115319081
5-(hydrazinecarbonyl)-1-methyl-N-(4-methylphenyl)pyrrole-3-sulfonamide
CID 16780127
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-1-methylpyrrole-2-carbohydrazide
CID 16780041
4-(diethylsulfamoyl)-N-[2-(dimethylsulfamoyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 55984075
N-(2,5-dimethylpyrazol-3-yl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide
CID 16780416
4-[ethyl(2-hydroxyethyl)sulfamoyl]-N,1-dimethylpyrrole-2-carboxamide
CID 54878712
N-(2-fluoro-5-methylphenyl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide
CID 16779951
5-(hydrazinecarbonyl)-N,N-dimethyl-1H-pyrrole-3-sulfonamide
CID 16780083
N-(4-fluoro-2-methylphenyl)-5-(hydrazinecarbonyl)-1-methylpyrrole-3-sulfonamide
CID 16780731
4-[2-hydroxyethyl(methyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 54876261
1-methyl-N-(3-methylsulfonylpropyl)-4-sulfamoylpyrrole-2-carboxamide
CID 61149529
N-(2,2-dimethylpropyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 61381311

Frequently Asked Questions

What is the IUPAC name of 5-(hydrazinecarbonyl)-N,N,1-trimethylpyrrole-3-sulfonamide?
The IUPAC name of 5-(hydrazinecarbonyl)-N,N,1-trimethylpyrrole-3-sulfonamide (CID 16780167) is 5-(hydrazinecarbonyl)-N,N,1-trimethylpyrrole-3-sulfonamide.
What is the SMILES notation for 5-(hydrazinecarbonyl)-N,N,1-trimethylpyrrole-3-sulfonamide?
The canonical SMILES for 5-(hydrazinecarbonyl)-N,N,1-trimethylpyrrole-3-sulfonamide is CN(C)S(=O)(=O)c1cc(C(=O)NN)n(C)c1.
What is the InChIKey of 5-(hydrazinecarbonyl)-N,N,1-trimethylpyrrole-3-sulfonamide?
The InChIKey is IUOWFMSKKFYYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3S/c1-11(2)16(14,15)6-4-7(8(13)10-9)12(3)5-6/h4-5H,9H2,1-3H3,(H,10,13).
What are the key properties of 5-(hydrazinecarbonyl)-N,N,1-trimethylpyrrole-3-sulfonamide?
5-(hydrazinecarbonyl)-N,N,1-trimethylpyrrole-3-sulfonamide has a molecular weight of 246.29 g/mol, XLogP of -1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydrazinecarbonyl)-N,N,1-trimethylpyrrole-3-sulfonamide is sourced from PubChem (CID 16780167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).