2-hydrazinyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpyrimidine-5-sulfonamide

C9H17N5O4S — CID 54998782

IUPAC2-hydrazinyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpyrimidine-5-sulfonamide
SMILESCOCC(O)CN(C)S(=O)(=O)c1cnc(NN)nc1
InChIInChI=1S/C9H17N5O4S/c1-14(5-7(15)6-18-2)19(16,17)8-3-11-9(13-10)12-4-8/h3-4,7,15H,5-6,10H2,1-2H3,(H,11,12,13)
InChIKeyPQAIBNSTAMHBMM-UHFFFAOYSA-N
MW291.33 g/mol
LogP-1.61
Rot. Bonds7

About 2-hydrazinyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpyrimidine-5-sulfonamide

2-hydrazinyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpyrimidine-5-sulfonamide (PubChem CID 54998782) has the molecular formula C9H17N5O4S and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-hydrazinyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-hydrazinyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpyrimidine-5-sulfonamide
PubChem CID54998782
Molecular FormulaC9H17N5O4S
Molecular Weight291.33 g/mol
Exact Mass291.10
IUPAC Name2-hydrazinyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpyrimidine-5-sulfonamide
SMILESCOCC(O)CN(C)S(=O)(=O)c1cnc(NN)nc1
InChIInChI=1S/C9H17N5O4S/c1-14(5-7(15)6-18-2)19(16,17)8-3-11-9(13-10)12-4-8/h3-4,7,15H,5-6,10H2,1-2H3,(H,11,12,13)
InChIKeyPQAIBNSTAMHBMM-UHFFFAOYSA-N
XLogP-1.61
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 5-1.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 2-hydrazinyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpyrimidine-5-sulfonamide?
The IUPAC name of 2-hydrazinyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpyrimidine-5-sulfonamide (CID 54998782) is 2-hydrazinyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpyrimidine-5-sulfonamide.
What is the SMILES notation for 2-hydrazinyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpyrimidine-5-sulfonamide?
The canonical SMILES for 2-hydrazinyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpyrimidine-5-sulfonamide is COCC(O)CN(C)S(=O)(=O)c1cnc(NN)nc1.
What is the InChIKey of 2-hydrazinyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpyrimidine-5-sulfonamide?
The InChIKey is PQAIBNSTAMHBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O4S/c1-14(5-7(15)6-18-2)19(16,17)8-3-11-9(13-10)12-4-8/h3-4,7,15H,5-6,10H2,1-2H3,(H,11,12,13).
What are the key properties of 2-hydrazinyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpyrimidine-5-sulfonamide?
2-hydrazinyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpyrimidine-5-sulfonamide has a molecular weight of 291.33 g/mol, XLogP of -1.61, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpyrimidine-5-sulfonamide is sourced from PubChem (CID 54998782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).