2-hydrazinyl-N-(4-methylpentyl)pyrimidine-5-sulfonamide

C10H19N5O2S — CID 63004596

IUPAC2-hydrazinyl-N-(4-methylpentyl)pyrimidine-5-sulfonamide
SMILESCC(C)CCCNS(=O)(=O)c1cnc(NN)nc1
InChIInChI=1S/C10H19N5O2S/c1-8(2)4-3-5-14-18(16,17)9-6-12-10(15-11)13-7-9/h6-8,14H,3-5,11H2,1-2H3,(H,12,13,15)
InChIKeyAKGYBHHPSVDYAB-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.48
Rot. Bonds7

About 2-hydrazinyl-N-(4-methylpentyl)pyrimidine-5-sulfonamide

2-hydrazinyl-N-(4-methylpentyl)pyrimidine-5-sulfonamide (PubChem CID 63004596) has the molecular formula C10H19N5O2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-hydrazinyl-N-(4-methylpentyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound Name2-hydrazinyl-N-(4-methylpentyl)pyrimidine-5-sulfonamide
PubChem CID63004596
Molecular FormulaC10H19N5O2S
Molecular Weight273.36 g/mol
Exact Mass273.13
IUPAC Name2-hydrazinyl-N-(4-methylpentyl)pyrimidine-5-sulfonamide
SMILESCC(C)CCCNS(=O)(=O)c1cnc(NN)nc1
InChIInChI=1S/C10H19N5O2S/c1-8(2)4-3-5-14-18(16,17)9-6-12-10(15-11)13-7-9/h6-8,14H,3-5,11H2,1-2H3,(H,12,13,15)
InChIKeyAKGYBHHPSVDYAB-UHFFFAOYSA-N
XLogP0.48
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-hydrazinyl-N-(4-methylpentyl)pyridine-3-sulfonamide
CID 63003893
N-[2-(dimethylamino)ethyl]-2-hydrazinylpyrimidine-5-sulfonamide
CID 61327931
2-hydrazinyl-N-(3,3,3-trifluoropropyl)pyrimidine-5-sulfonamide
CID 63227725
2-hydrazinyl-N-(4-methylpentan-2-yl)pyrimidine-5-sulfonamide
CID 61327171
2-(methylamino)-N-(4-propan-2-yloxybutyl)pyrimidine-5-sulfonamide
CID 106014818
4-chloro-N-(4-methylpentyl)benzenesulfonamide
CID 3318500
2-hydrazinyl-N-(4-methoxybutan-2-yl)pyrimidine-5-sulfonamide
CID 64605702
2-hydrazinyl-N-[(4-methylphenyl)methyl]pyrimidine-5-sulfonamide
CID 61328911
4-(3-aminoprop-1-ynyl)-N-(4-methylpentyl)benzenesulfonamide
CID 63004010
2-hydrazinyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-5-sulfonamide
CID 63823602
2-hydrazinyl-N-(2-pyridin-2-ylethyl)pyrimidine-5-sulfonamide
CID 61328516
N-cyclopropyl-2-hydrazinyl-N-(3-methylbutyl)pyrimidine-5-sulfonamide
CID 78974350

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(4-methylpentyl)pyrimidine-5-sulfonamide?
The IUPAC name of 2-hydrazinyl-N-(4-methylpentyl)pyrimidine-5-sulfonamide (CID 63004596) is 2-hydrazinyl-N-(4-methylpentyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for 2-hydrazinyl-N-(4-methylpentyl)pyrimidine-5-sulfonamide?
The canonical SMILES for 2-hydrazinyl-N-(4-methylpentyl)pyrimidine-5-sulfonamide is CC(C)CCCNS(=O)(=O)c1cnc(NN)nc1.
What is the InChIKey of 2-hydrazinyl-N-(4-methylpentyl)pyrimidine-5-sulfonamide?
The InChIKey is AKGYBHHPSVDYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2S/c1-8(2)4-3-5-14-18(16,17)9-6-12-10(15-11)13-7-9/h6-8,14H,3-5,11H2,1-2H3,(H,12,13,15).
What are the key properties of 2-hydrazinyl-N-(4-methylpentyl)pyrimidine-5-sulfonamide?
2-hydrazinyl-N-(4-methylpentyl)pyrimidine-5-sulfonamide has a molecular weight of 273.36 g/mol, XLogP of 0.48, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(4-methylpentyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 63004596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).