N-(1,3-dimethylpiperidin-4-yl)-2-hydrazinylpyridine-4-sulfonamide

C12H21N5O2S — CID 114504913

IUPACN-(1,3-dimethylpiperidin-4-yl)-2-hydrazinylpyridine-4-sulfonamide
SMILESCC1CN(C)CCC1NS(=O)(=O)c1ccnc(NN)c1
InChIInChI=1S/C12H21N5O2S/c1-9-8-17(2)6-4-11(9)16-20(18,19)10-3-5-14-12(7-10)15-13/h3,5,7,9,11,16H,4,6,8,13H2,1-2H3,(H,14,15)
InChIKeyVUCGMJWDOMZGSS-UHFFFAOYSA-N
MW299.40 g/mol
LogP-0.01
Rot. Bonds4

About N-(1,3-dimethylpiperidin-4-yl)-2-hydrazinylpyridine-4-sulfonamide

N-(1,3-dimethylpiperidin-4-yl)-2-hydrazinylpyridine-4-sulfonamide (PubChem CID 114504913) has the molecular formula C12H21N5O2S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-(1,3-dimethylpiperidin-4-yl)-2-hydrazinylpyridine-4-sulfonamide.

Molecular Properties

Compound NameN-(1,3-dimethylpiperidin-4-yl)-2-hydrazinylpyridine-4-sulfonamide
PubChem CID114504913
Molecular FormulaC12H21N5O2S
Molecular Weight299.40 g/mol
Exact Mass299.14
IUPAC NameN-(1,3-dimethylpiperidin-4-yl)-2-hydrazinylpyridine-4-sulfonamide
SMILESCC1CN(C)CCC1NS(=O)(=O)c1ccnc(NN)c1
InChIInChI=1S/C12H21N5O2S/c1-9-8-17(2)6-4-11(9)16-20(18,19)10-3-5-14-12(7-10)15-13/h3,5,7,9,11,16H,4,6,8,13H2,1-2H3,(H,14,15)
InChIKeyVUCGMJWDOMZGSS-UHFFFAOYSA-N
XLogP-0.01
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(1,3-dimethylpiperidin-4-yl)-2-(ethylamino)pyridine-4-sulfonamide
CID 114505908
N-(2,4-dimethylcyclohexyl)-2-hydrazinylpyridine-4-sulfonamide
CID 63997168
N-(2,3-dimethylcyclohexyl)-2-hydrazinylpyridine-4-sulfonamide
CID 61003120
N-(1,3-dimethylpiperidin-4-yl)-2-hydrazinylpyridin-4-amine
CID 114506746
3-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide
CID 114503347
4-(aminomethyl)-N-(1,3-dimethylpiperidin-4-yl)-3-methylbenzenesulfonamide
CID 106919626
5-[(1,3-dimethylpiperidin-4-yl)sulfamoyl]pyridine-2-carbothioamide
CID 114614758
4-(2-aminoethyl)-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide
CID 114503351
[4-(3-methylpyrrolidin-1-yl)sulfonyl-2-pyridinyl]hydrazine
CID 61226431
[4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)sulfonyl]-2-pyridinyl]hydrazine
CID 79165397
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(methylamino)pyridine-4-sulfonamide
CID 62143492
4-amino-N-(1,3-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide
CID 114502894

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpiperidin-4-yl)-2-hydrazinylpyridine-4-sulfonamide?
The IUPAC name of N-(1,3-dimethylpiperidin-4-yl)-2-hydrazinylpyridine-4-sulfonamide (CID 114504913) is N-(1,3-dimethylpiperidin-4-yl)-2-hydrazinylpyridine-4-sulfonamide.
What is the SMILES notation for N-(1,3-dimethylpiperidin-4-yl)-2-hydrazinylpyridine-4-sulfonamide?
The canonical SMILES for N-(1,3-dimethylpiperidin-4-yl)-2-hydrazinylpyridine-4-sulfonamide is CC1CN(C)CCC1NS(=O)(=O)c1ccnc(NN)c1.
What is the InChIKey of N-(1,3-dimethylpiperidin-4-yl)-2-hydrazinylpyridine-4-sulfonamide?
The InChIKey is VUCGMJWDOMZGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2S/c1-9-8-17(2)6-4-11(9)16-20(18,19)10-3-5-14-12(7-10)15-13/h3,5,7,9,11,16H,4,6,8,13H2,1-2H3,(H,14,15).
What are the key properties of N-(1,3-dimethylpiperidin-4-yl)-2-hydrazinylpyridine-4-sulfonamide?
N-(1,3-dimethylpiperidin-4-yl)-2-hydrazinylpyridine-4-sulfonamide has a molecular weight of 299.40 g/mol, XLogP of -0.01, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpiperidin-4-yl)-2-hydrazinylpyridine-4-sulfonamide is sourced from PubChem (CID 114504913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).