5-amino-N-cyclohexyl-1-propan-2-ylpyrazole-4-sulfonamide

C12H22N4O2S — CID 82459864

IUPAC5-amino-N-cyclohexyl-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCC(C)n1ncc(S(=O)(=O)NC2CCCCC2)c1N
InChIInChI=1S/C12H22N4O2S/c1-9(2)16-12(13)11(8-14-16)19(17,18)15-10-6-4-3-5-7-10/h8-10,15H,3-7,13H2,1-2H3
InChIKeyCXSBEYRCUAEFTB-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.66
Rot. Bonds4

About 5-amino-N-cyclohexyl-1-propan-2-ylpyrazole-4-sulfonamide

5-amino-N-cyclohexyl-1-propan-2-ylpyrazole-4-sulfonamide (PubChem CID 82459864) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 5-amino-N-cyclohexyl-1-propan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-cyclohexyl-1-propan-2-ylpyrazole-4-sulfonamide
PubChem CID82459864
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name5-amino-N-cyclohexyl-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCC(C)n1ncc(S(=O)(=O)NC2CCCCC2)c1N
InChIInChI=1S/C12H22N4O2S/c1-9(2)16-12(13)11(8-14-16)19(17,18)15-10-6-4-3-5-7-10/h8-10,15H,3-7,13H2,1-2H3
InChIKeyCXSBEYRCUAEFTB-UHFFFAOYSA-N
XLogP1.66
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-cyclohexyl-1-propan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-cyclohexyl-1-propan-2-ylpyrazole-4-sulfonamide (CID 82459864) is 5-amino-N-cyclohexyl-1-propan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-cyclohexyl-1-propan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-cyclohexyl-1-propan-2-ylpyrazole-4-sulfonamide is CC(C)n1ncc(S(=O)(=O)NC2CCCCC2)c1N.
What is the InChIKey of 5-amino-N-cyclohexyl-1-propan-2-ylpyrazole-4-sulfonamide?
The InChIKey is CXSBEYRCUAEFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-9(2)16-12(13)11(8-14-16)19(17,18)15-10-6-4-3-5-7-10/h8-10,15H,3-7,13H2,1-2H3.
What are the key properties of 5-amino-N-cyclohexyl-1-propan-2-ylpyrazole-4-sulfonamide?
5-amino-N-cyclohexyl-1-propan-2-ylpyrazole-4-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-cyclohexyl-1-propan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 82459864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).