2-hydrazinyl-N-(3-hydroxypropyl)-N-propan-2-ylpyrimidine-5-sulfonamide

C10H19N5O3S — CID 54998683

IUPAC2-hydrazinyl-N-(3-hydroxypropyl)-N-propan-2-ylpyrimidine-5-sulfonamide
SMILESCC(C)N(CCCO)S(=O)(=O)c1cnc(NN)nc1
InChIInChI=1S/C10H19N5O3S/c1-8(2)15(4-3-5-16)19(17,18)9-6-12-10(14-11)13-7-9/h6-8,16H,3-5,11H2,1-2H3,(H,12,13,14)
InChIKeyQLFFCLXCESIIHA-UHFFFAOYSA-N
MW289.36 g/mol
LogP-0.46
Rot. Bonds7

About 2-hydrazinyl-N-(3-hydroxypropyl)-N-propan-2-ylpyrimidine-5-sulfonamide

2-hydrazinyl-N-(3-hydroxypropyl)-N-propan-2-ylpyrimidine-5-sulfonamide (PubChem CID 54998683) has the molecular formula C10H19N5O3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-hydrazinyl-N-(3-hydroxypropyl)-N-propan-2-ylpyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-hydrazinyl-N-(3-hydroxypropyl)-N-propan-2-ylpyrimidine-5-sulfonamide
PubChem CID54998683
Molecular FormulaC10H19N5O3S
Molecular Weight289.36 g/mol
Exact Mass289.12
IUPAC Name2-hydrazinyl-N-(3-hydroxypropyl)-N-propan-2-ylpyrimidine-5-sulfonamide
SMILESCC(C)N(CCCO)S(=O)(=O)c1cnc(NN)nc1
InChIInChI=1S/C10H19N5O3S/c1-8(2)15(4-3-5-16)19(17,18)9-6-12-10(14-11)13-7-9/h6-8,16H,3-5,11H2,1-2H3,(H,12,13,14)
InChIKeyQLFFCLXCESIIHA-UHFFFAOYSA-N
XLogP-0.46
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 5-0.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-(3-hydroxypropyl)-N-propan-2-ylpyrimidine-5-sulfonamide?
The IUPAC name of 2-hydrazinyl-N-(3-hydroxypropyl)-N-propan-2-ylpyrimidine-5-sulfonamide (CID 54998683) is 2-hydrazinyl-N-(3-hydroxypropyl)-N-propan-2-ylpyrimidine-5-sulfonamide.
What is the SMILES notation for 2-hydrazinyl-N-(3-hydroxypropyl)-N-propan-2-ylpyrimidine-5-sulfonamide?
The canonical SMILES for 2-hydrazinyl-N-(3-hydroxypropyl)-N-propan-2-ylpyrimidine-5-sulfonamide is CC(C)N(CCCO)S(=O)(=O)c1cnc(NN)nc1.
What is the InChIKey of 2-hydrazinyl-N-(3-hydroxypropyl)-N-propan-2-ylpyrimidine-5-sulfonamide?
The InChIKey is QLFFCLXCESIIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O3S/c1-8(2)15(4-3-5-16)19(17,18)9-6-12-10(14-11)13-7-9/h6-8,16H,3-5,11H2,1-2H3,(H,12,13,14).
What are the key properties of 2-hydrazinyl-N-(3-hydroxypropyl)-N-propan-2-ylpyrimidine-5-sulfonamide?
2-hydrazinyl-N-(3-hydroxypropyl)-N-propan-2-ylpyrimidine-5-sulfonamide has a molecular weight of 289.36 g/mol, XLogP of -0.46, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(3-hydroxypropyl)-N-propan-2-ylpyrimidine-5-sulfonamide is sourced from PubChem (CID 54998683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).