N-(1-cyclohexylethyl)-2-hydrazinylpyrimidine-5-sulfonamide

C12H21N5O2S — CID 62405635

IUPACN-(1-cyclohexylethyl)-2-hydrazinylpyrimidine-5-sulfonamide
SMILESCC(NS(=O)(=O)c1cnc(NN)nc1)C1CCCCC1
InChIInChI=1S/C12H21N5O2S/c1-9(10-5-3-2-4-6-10)17-20(18,19)11-7-14-12(16-13)15-8-11/h7-10,17H,2-6,13H2,1H3,(H,14,15,16)
InChIKeyNZPSFGPMXZCFIE-UHFFFAOYSA-N
MW299.40 g/mol
LogP1.01
Rot. Bonds5

About N-(1-cyclohexylethyl)-2-hydrazinylpyrimidine-5-sulfonamide

N-(1-cyclohexylethyl)-2-hydrazinylpyrimidine-5-sulfonamide (PubChem CID 62405635) has the molecular formula C12H21N5O2S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)-2-hydrazinylpyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)-2-hydrazinylpyrimidine-5-sulfonamide
PubChem CID62405635
Molecular FormulaC12H21N5O2S
Molecular Weight299.40 g/mol
Exact Mass299.14
IUPAC NameN-(1-cyclohexylethyl)-2-hydrazinylpyrimidine-5-sulfonamide
SMILESCC(NS(=O)(=O)c1cnc(NN)nc1)C1CCCCC1
InChIInChI=1S/C12H21N5O2S/c1-9(10-5-3-2-4-6-10)17-20(18,19)11-7-14-12(16-13)15-8-11/h7-10,17H,2-6,13H2,1H3,(H,14,15,16)
InChIKeyNZPSFGPMXZCFIE-UHFFFAOYSA-N
XLogP1.01
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 51.01
H-Bond Donors ≤ 53
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-(1-cyclohexylethyl)-2-hydrazinylpyrimidine-5-sulfonamide?
The IUPAC name of N-(1-cyclohexylethyl)-2-hydrazinylpyrimidine-5-sulfonamide (CID 62405635) is N-(1-cyclohexylethyl)-2-hydrazinylpyrimidine-5-sulfonamide.
What is the SMILES notation for N-(1-cyclohexylethyl)-2-hydrazinylpyrimidine-5-sulfonamide?
The canonical SMILES for N-(1-cyclohexylethyl)-2-hydrazinylpyrimidine-5-sulfonamide is CC(NS(=O)(=O)c1cnc(NN)nc1)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylethyl)-2-hydrazinylpyrimidine-5-sulfonamide?
The InChIKey is NZPSFGPMXZCFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2S/c1-9(10-5-3-2-4-6-10)17-20(18,19)11-7-14-12(16-13)15-8-11/h7-10,17H,2-6,13H2,1H3,(H,14,15,16).
What are the key properties of N-(1-cyclohexylethyl)-2-hydrazinylpyrimidine-5-sulfonamide?
N-(1-cyclohexylethyl)-2-hydrazinylpyrimidine-5-sulfonamide has a molecular weight of 299.40 g/mol, XLogP of 1.01, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethyl)-2-hydrazinylpyrimidine-5-sulfonamide is sourced from PubChem (CID 62405635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).