N-(cyclohexylmethyl)-2-hydrazinyl-N-methylpyrimidine-5-sulfonamide

C12H21N5O2S — CID 61443170

IUPACN-(cyclohexylmethyl)-2-hydrazinyl-N-methylpyrimidine-5-sulfonamide
SMILESCN(CC1CCCCC1)S(=O)(=O)c1cnc(NN)nc1
InChIInChI=1S/C12H21N5O2S/c1-17(9-10-5-3-2-4-6-10)20(18,19)11-7-14-12(16-13)15-8-11/h7-8,10H,2-6,9,13H2,1H3,(H,14,15,16)
InChIKeyAMEWYPVUTRMONR-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.96
Rot. Bonds5

About N-(cyclohexylmethyl)-2-hydrazinyl-N-methylpyrimidine-5-sulfonamide

N-(cyclohexylmethyl)-2-hydrazinyl-N-methylpyrimidine-5-sulfonamide (PubChem CID 61443170) has the molecular formula C12H21N5O2S and a molecular weight of 299.40 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-hydrazinyl-N-methylpyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-hydrazinyl-N-methylpyrimidine-5-sulfonamide
PubChem CID61443170
Molecular FormulaC12H21N5O2S
Molecular Weight299.40 g/mol
Exact Mass299.14
IUPAC NameN-(cyclohexylmethyl)-2-hydrazinyl-N-methylpyrimidine-5-sulfonamide
SMILESCN(CC1CCCCC1)S(=O)(=O)c1cnc(NN)nc1
InChIInChI=1S/C12H21N5O2S/c1-17(9-10-5-3-2-4-6-10)20(18,19)11-7-14-12(16-13)15-8-11/h7-8,10H,2-6,9,13H2,1H3,(H,14,15,16)
InChIKeyAMEWYPVUTRMONR-UHFFFAOYSA-N
XLogP0.96
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
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-(cyclohexylmethyl)-2-hydrazinyl-N-methylpyrimidine-5-sulfonamide?
The IUPAC name of N-(cyclohexylmethyl)-2-hydrazinyl-N-methylpyrimidine-5-sulfonamide (CID 61443170) is N-(cyclohexylmethyl)-2-hydrazinyl-N-methylpyrimidine-5-sulfonamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-hydrazinyl-N-methylpyrimidine-5-sulfonamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-hydrazinyl-N-methylpyrimidine-5-sulfonamide is CN(CC1CCCCC1)S(=O)(=O)c1cnc(NN)nc1.
What is the InChIKey of N-(cyclohexylmethyl)-2-hydrazinyl-N-methylpyrimidine-5-sulfonamide?
The InChIKey is AMEWYPVUTRMONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2S/c1-17(9-10-5-3-2-4-6-10)20(18,19)11-7-14-12(16-13)15-8-11/h7-8,10H,2-6,9,13H2,1H3,(H,14,15,16).
What are the key properties of N-(cyclohexylmethyl)-2-hydrazinyl-N-methylpyrimidine-5-sulfonamide?
N-(cyclohexylmethyl)-2-hydrazinyl-N-methylpyrimidine-5-sulfonamide has a molecular weight of 299.40 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-hydrazinyl-N-methylpyrimidine-5-sulfonamide is sourced from PubChem (CID 61443170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).