N-[(5-amino-1-methylpyrazol-4-yl)methyl]cyclohexanesulfonamide

C11H20N4O2S — CID 79523429

IUPACN-[(5-amino-1-methylpyrazol-4-yl)methyl]cyclohexanesulfonamide
SMILESCn1ncc(CNS(=O)(=O)C2CCCCC2)c1N
InChIInChI=1S/C11H20N4O2S/c1-15-11(12)9(7-13-15)8-14-18(16,17)10-5-3-2-4-6-10/h7,10,14H,2-6,8,12H2,1H3
InChIKeyRAIFPURLEBYHAI-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.75
Rot. Bonds4

About N-[(5-amino-1-methylpyrazol-4-yl)methyl]cyclohexanesulfonamide

N-[(5-amino-1-methylpyrazol-4-yl)methyl]cyclohexanesulfonamide (PubChem CID 79523429) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-[(5-amino-1-methylpyrazol-4-yl)methyl]cyclohexanesulfonamide.

Molecular Properties

Compound NameN-[(5-amino-1-methylpyrazol-4-yl)methyl]cyclohexanesulfonamide
PubChem CID79523429
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC NameN-[(5-amino-1-methylpyrazol-4-yl)methyl]cyclohexanesulfonamide
SMILESCn1ncc(CNS(=O)(=O)C2CCCCC2)c1N
InChIInChI=1S/C11H20N4O2S/c1-15-11(12)9(7-13-15)8-14-18(16,17)10-5-3-2-4-6-10/h7,10,14H,2-6,8,12H2,1H3
InChIKeyRAIFPURLEBYHAI-UHFFFAOYSA-N
XLogP0.75
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1-methylpyrazol-4-yl)methyl]cyclohexanesulfonamide?
The IUPAC name of N-[(5-amino-1-methylpyrazol-4-yl)methyl]cyclohexanesulfonamide (CID 79523429) is N-[(5-amino-1-methylpyrazol-4-yl)methyl]cyclohexanesulfonamide.
What is the SMILES notation for N-[(5-amino-1-methylpyrazol-4-yl)methyl]cyclohexanesulfonamide?
The canonical SMILES for N-[(5-amino-1-methylpyrazol-4-yl)methyl]cyclohexanesulfonamide is Cn1ncc(CNS(=O)(=O)C2CCCCC2)c1N.
What is the InChIKey of N-[(5-amino-1-methylpyrazol-4-yl)methyl]cyclohexanesulfonamide?
The InChIKey is RAIFPURLEBYHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-15-11(12)9(7-13-15)8-14-18(16,17)10-5-3-2-4-6-10/h7,10,14H,2-6,8,12H2,1H3.
What are the key properties of N-[(5-amino-1-methylpyrazol-4-yl)methyl]cyclohexanesulfonamide?
N-[(5-amino-1-methylpyrazol-4-yl)methyl]cyclohexanesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1-methylpyrazol-4-yl)methyl]cyclohexanesulfonamide is sourced from PubChem (CID 79523429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).