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

C10H15N3O4S2 — CID 77046674

IUPACN-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-1-(oxolan-2-yl)methanesulfonamide
SMILESCC(=NO)c1csc(NS(=O)(=O)CC2CCCO2)n1
InChIInChI=1S/C10H15N3O4S2/c1-7(12-14)9-5-18-10(11-9)13-19(15,16)6-8-3-2-4-17-8/h5,8,14H,2-4,6H2,1H3,(H,11,13)
InChIKeyJMPRAFKTMVULFR-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.26
Rot. Bonds5

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

N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-1-(oxolan-2-yl)methanesulfonamide (PubChem CID 77046674) has the molecular formula C10H15N3O4S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-1-(oxolan-2-yl)methanesulfonamide.

Molecular Properties

Compound NameN-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-1-(oxolan-2-yl)methanesulfonamide
PubChem CID77046674
Molecular FormulaC10H15N3O4S2
Molecular Weight305.38 g/mol
Exact Mass305.05
IUPAC NameN-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-1-(oxolan-2-yl)methanesulfonamide
SMILESCC(=NO)c1csc(NS(=O)(=O)CC2CCCO2)n1
InChIInChI=1S/C10H15N3O4S2/c1-7(12-14)9-5-18-10(11-9)13-19(15,16)6-8-3-2-4-17-8/h5,8,14H,2-4,6H2,1H3,(H,11,13)
InChIKeyJMPRAFKTMVULFR-UHFFFAOYSA-N
XLogP1.26
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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Related Compounds

1-cyclohexyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]methanesulfonamide
CID 77046918
N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-3-(oxan-2-yl)propanamide
CID 77046849
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-1,3-thiazol-2-yl]-2-methoxyethanesulfonamide
CID 64555946
N-[1-[2-(2-methylpropylsulfamoylamino)-1,3-thiazol-4-yl]ethylidene]hydroxylamine
CID 104978674
2-cyclopentyl-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]acetamide
CID 77047021
N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-2,5-dimethylbenzenesulfonamide
CID 77046980
methyl 3-(oxolan-2-ylmethylsulfonylamino)thiophene-2-carboxylate
CID 55174697
2-chloro-N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 77046639
N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-2-(thian-4-yl)acetamide
CID 83136336
N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 77115184
N-(2-hydroxy-4-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63247039
4-bromo-N'-hydroxy-2-(oxolan-2-ylmethylsulfonylamino)benzenecarboximidamide
CID 107800988

Frequently Asked Questions

What is the IUPAC name of N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-1-(oxolan-2-yl)methanesulfonamide?
The IUPAC name of N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-1-(oxolan-2-yl)methanesulfonamide (CID 77046674) is N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-1-(oxolan-2-yl)methanesulfonamide.
What is the SMILES notation for N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-1-(oxolan-2-yl)methanesulfonamide?
The canonical SMILES for N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-1-(oxolan-2-yl)methanesulfonamide is CC(=NO)c1csc(NS(=O)(=O)CC2CCCO2)n1.
What is the InChIKey of N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-1-(oxolan-2-yl)methanesulfonamide?
The InChIKey is JMPRAFKTMVULFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S2/c1-7(12-14)9-5-18-10(11-9)13-19(15,16)6-8-3-2-4-17-8/h5,8,14H,2-4,6H2,1H3,(H,11,13).
What are the key properties of N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-1-(oxolan-2-yl)methanesulfonamide?
N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-1-(oxolan-2-yl)methanesulfonamide has a molecular weight of 305.38 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(N-hydroxy-C-methylcarbonimidoyl)-1,3-thiazol-2-yl]-1-(oxolan-2-yl)methanesulfonamide is sourced from PubChem (CID 77046674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).