2-hydrazinyl-N-(oxan-2-ylmethyl)pyrimidine-5-sulfonamide

C10H17N5O3S — CID 55013555

IUPAC2-hydrazinyl-N-(oxan-2-ylmethyl)pyrimidine-5-sulfonamide
SMILESNNc1ncc(S(=O)(=O)NCC2CCCCO2)cn1
InChIInChI=1S/C10H17N5O3S/c11-15-10-12-6-9(7-13-10)19(16,17)14-5-8-3-1-2-4-18-8/h6-8,14H,1-5,11H2,(H,12,13,15)
InChIKeyZXUICWNPZZGGPZ-UHFFFAOYSA-N
MW287.34 g/mol
LogP-0.39
Rot. Bonds5

About 2-hydrazinyl-N-(oxan-2-ylmethyl)pyrimidine-5-sulfonamide

2-hydrazinyl-N-(oxan-2-ylmethyl)pyrimidine-5-sulfonamide (PubChem CID 55013555) has the molecular formula C10H17N5O3S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-hydrazinyl-N-(oxan-2-ylmethyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-hydrazinyl-N-(oxan-2-ylmethyl)pyrimidine-5-sulfonamide
PubChem CID55013555
Molecular FormulaC10H17N5O3S
Molecular Weight287.34 g/mol
Exact Mass287.11
IUPAC Name2-hydrazinyl-N-(oxan-2-ylmethyl)pyrimidine-5-sulfonamide
SMILESNNc1ncc(S(=O)(=O)NCC2CCCCO2)cn1
InChIInChI=1S/C10H17N5O3S/c11-15-10-12-6-9(7-13-10)19(16,17)14-5-8-3-1-2-4-18-8/h6-8,14H,1-5,11H2,(H,12,13,15)
InChIKeyZXUICWNPZZGGPZ-UHFFFAOYSA-N
XLogP-0.39
TPSA119.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 5-0.39
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-(oxan-2-ylmethyl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-hydrazinyl-N-(oxan-2-ylmethyl)pyrimidine-5-sulfonamide (CID 55013555) is 2-hydrazinyl-N-(oxan-2-ylmethyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-hydrazinyl-N-(oxan-2-ylmethyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-hydrazinyl-N-(oxan-2-ylmethyl)pyrimidine-5-sulfonamide is NNc1ncc(S(=O)(=O)NCC2CCCCO2)cn1.
What is the InChIKey of 2-hydrazinyl-N-(oxan-2-ylmethyl)pyrimidine-5-sulfonamide?
The InChIKey is ZXUICWNPZZGGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3S/c11-15-10-12-6-9(7-13-10)19(16,17)14-5-8-3-1-2-4-18-8/h6-8,14H,1-5,11H2,(H,12,13,15).
What are the key properties of 2-hydrazinyl-N-(oxan-2-ylmethyl)pyrimidine-5-sulfonamide?
2-hydrazinyl-N-(oxan-2-ylmethyl)pyrimidine-5-sulfonamide has a molecular weight of 287.34 g/mol, XLogP of -0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(oxan-2-ylmethyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 55013555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).