1-cyclohexyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]methanesulfonamide

C12H19N3O3S2 — CID 77046918

IUPAC1-cyclohexyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]methanesulfonamide
SMILESCC(=NO)c1csc(NS(=O)(=O)CC2CCCCC2)n1
InChIInChI=1S/C12H19N3O3S2/c1-9(14-16)11-7-19-12(13-11)15-20(17,18)8-10-5-3-2-4-6-10/h7,10,16H,2-6,8H2,1H3,(H,13,15)
InChIKeyPMVGQVANFOHYBK-UHFFFAOYSA-N
MW317.44 g/mol
LogP2.66
Rot. Bonds5

About 1-cyclohexyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]methanesulfonamide

1-cyclohexyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]methanesulfonamide (PubChem CID 77046918) has the molecular formula C12H19N3O3S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is 1-cyclohexyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]methanesulfonamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]methanesulfonamide
PubChem CID77046918
Molecular FormulaC12H19N3O3S2
Molecular Weight317.44 g/mol
Exact Mass317.09
IUPAC Name1-cyclohexyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]methanesulfonamide
SMILESCC(=NO)c1csc(NS(=O)(=O)CC2CCCCC2)n1
InChIInChI=1S/C12H19N3O3S2/c1-9(14-16)11-7-19-12(13-11)15-20(17,18)8-10-5-3-2-4-6-10/h7,10,16H,2-6,8H2,1H3,(H,13,15)
InChIKeyPMVGQVANFOHYBK-UHFFFAOYSA-N
XLogP2.66
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 1-cyclohexyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]methanesulfonamide?
The IUPAC name of 1-cyclohexyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]methanesulfonamide (CID 77046918) is 1-cyclohexyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]methanesulfonamide.
What is the SMILES notation for 1-cyclohexyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]methanesulfonamide?
The canonical SMILES for 1-cyclohexyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]methanesulfonamide is CC(=NO)c1csc(NS(=O)(=O)CC2CCCCC2)n1.
What is the InChIKey of 1-cyclohexyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]methanesulfonamide?
The InChIKey is PMVGQVANFOHYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S2/c1-9(14-16)11-7-19-12(13-11)15-20(17,18)8-10-5-3-2-4-6-10/h7,10,16H,2-6,8H2,1H3,(H,13,15).
What are the key properties of 1-cyclohexyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]methanesulfonamide?
1-cyclohexyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]methanesulfonamide has a molecular weight of 317.44 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]methanesulfonamide is sourced from PubChem (CID 77046918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).