N-cyclopropyl-2-hydrazinyl-N-(3-methylbutyl)pyrimidine-5-sulfonamide

C12H21N5O2S — CID 78974350

IUPACN-cyclopropyl-2-hydrazinyl-N-(3-methylbutyl)pyrimidine-5-sulfonamide
SMILESCC(C)CCN(C1CC1)S(=O)(=O)c1cnc(NN)nc1
InChIInChI=1S/C12H21N5O2S/c1-9(2)5-6-17(10-3-4-10)20(18,19)11-7-14-12(16-13)15-8-11/h7-10H,3-6,13H2,1-2H3,(H,14,15,16)
InChIKeySDZXYLHBKWHATG-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.96
Rot. Bonds7

About N-cyclopropyl-2-hydrazinyl-N-(3-methylbutyl)pyrimidine-5-sulfonamide

N-cyclopropyl-2-hydrazinyl-N-(3-methylbutyl)pyrimidine-5-sulfonamide (PubChem CID 78974350) has the molecular formula C12H21N5O2S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-cyclopropyl-2-hydrazinyl-N-(3-methylbutyl)pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-2-hydrazinyl-N-(3-methylbutyl)pyrimidine-5-sulfonamide
PubChem CID78974350
Molecular FormulaC12H21N5O2S
Molecular Weight299.40 g/mol
Exact Mass299.14
IUPAC NameN-cyclopropyl-2-hydrazinyl-N-(3-methylbutyl)pyrimidine-5-sulfonamide
SMILESCC(C)CCN(C1CC1)S(=O)(=O)c1cnc(NN)nc1
InChIInChI=1S/C12H21N5O2S/c1-9(2)5-6-17(10-3-4-10)20(18,19)11-7-14-12(16-13)15-8-11/h7-10H,3-6,13H2,1-2H3,(H,14,15,16)
InChIKeySDZXYLHBKWHATG-UHFFFAOYSA-N
XLogP0.96
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 N-cyclopropyl-2-hydrazinyl-N-(3-methylbutyl)pyrimidine-5-sulfonamide?
The IUPAC name of N-cyclopropyl-2-hydrazinyl-N-(3-methylbutyl)pyrimidine-5-sulfonamide (CID 78974350) is N-cyclopropyl-2-hydrazinyl-N-(3-methylbutyl)pyrimidine-5-sulfonamide.
What is the SMILES notation for N-cyclopropyl-2-hydrazinyl-N-(3-methylbutyl)pyrimidine-5-sulfonamide?
The canonical SMILES for N-cyclopropyl-2-hydrazinyl-N-(3-methylbutyl)pyrimidine-5-sulfonamide is CC(C)CCN(C1CC1)S(=O)(=O)c1cnc(NN)nc1.
What is the InChIKey of N-cyclopropyl-2-hydrazinyl-N-(3-methylbutyl)pyrimidine-5-sulfonamide?
The InChIKey is SDZXYLHBKWHATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2S/c1-9(2)5-6-17(10-3-4-10)20(18,19)11-7-14-12(16-13)15-8-11/h7-10H,3-6,13H2,1-2H3,(H,14,15,16).
What are the key properties of N-cyclopropyl-2-hydrazinyl-N-(3-methylbutyl)pyrimidine-5-sulfonamide?
N-cyclopropyl-2-hydrazinyl-N-(3-methylbutyl)pyrimidine-5-sulfonamide has a molecular weight of 299.40 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-hydrazinyl-N-(3-methylbutyl)pyrimidine-5-sulfonamide is sourced from PubChem (CID 78974350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).