2-hydrazinyl-N-(1-oxothian-4-yl)pyrimidine-5-sulfonamide

C9H15N5O3S2 — CID 113480161

IUPAC2-hydrazinyl-N-(1-oxothian-4-yl)pyrimidine-5-sulfonamide
SMILESNNc1ncc(S(=O)(=O)NC2CCS(=O)CC2)cn1
InChIInChI=1S/C9H15N5O3S2/c10-13-9-11-5-8(6-12-9)19(16,17)14-7-1-3-18(15)4-2-7/h5-7,14H,1-4,10H2,(H,11,12,13)
InChIKeyUSKJHUFNYJXJJS-UHFFFAOYSA-N
MW305.38 g/mol
LogP-1.05
Rot. Bonds4

About 2-hydrazinyl-N-(1-oxothian-4-yl)pyrimidine-5-sulfonamide

2-hydrazinyl-N-(1-oxothian-4-yl)pyrimidine-5-sulfonamide (PubChem CID 113480161) has the molecular formula C9H15N5O3S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-hydrazinyl-N-(1-oxothian-4-yl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-hydrazinyl-N-(1-oxothian-4-yl)pyrimidine-5-sulfonamide
PubChem CID113480161
Molecular FormulaC9H15N5O3S2
Molecular Weight305.38 g/mol
Exact Mass305.06
IUPAC Name2-hydrazinyl-N-(1-oxothian-4-yl)pyrimidine-5-sulfonamide
SMILESNNc1ncc(S(=O)(=O)NC2CCS(=O)CC2)cn1
InChIInChI=1S/C9H15N5O3S2/c10-13-9-11-5-8(6-12-9)19(16,17)14-7-1-3-18(15)4-2-7/h5-7,14H,1-4,10H2,(H,11,12,13)
InChIKeyUSKJHUFNYJXJJS-UHFFFAOYSA-N
XLogP-1.05
TPSA127.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 5-1.05
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-(1-oxothian-4-yl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-hydrazinyl-N-(1-oxothian-4-yl)pyrimidine-5-sulfonamide (CID 113480161) is 2-hydrazinyl-N-(1-oxothian-4-yl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-hydrazinyl-N-(1-oxothian-4-yl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-hydrazinyl-N-(1-oxothian-4-yl)pyrimidine-5-sulfonamide is NNc1ncc(S(=O)(=O)NC2CCS(=O)CC2)cn1.
What is the InChIKey of 2-hydrazinyl-N-(1-oxothian-4-yl)pyrimidine-5-sulfonamide?
The InChIKey is USKJHUFNYJXJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3S2/c10-13-9-11-5-8(6-12-9)19(16,17)14-7-1-3-18(15)4-2-7/h5-7,14H,1-4,10H2,(H,11,12,13).
What are the key properties of 2-hydrazinyl-N-(1-oxothian-4-yl)pyrimidine-5-sulfonamide?
2-hydrazinyl-N-(1-oxothian-4-yl)pyrimidine-5-sulfonamide has a molecular weight of 305.38 g/mol, XLogP of -1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(1-oxothian-4-yl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 113480161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).