N-hydroxy-4-(4-methoxyphenyl)sulfonylthiomorpholine-3-carboxamide

C12H16N2O5S2 — CID 10019658

IUPACN-hydroxy-4-(4-methoxyphenyl)sulfonylthiomorpholine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCSCC2C(=O)NO)cc1
InChIInChI=1S/C12H16N2O5S2/c1-19-9-2-4-10(5-3-9)21(17,18)14-6-7-20-8-11(14)12(15)13-16/h2-5,11,16H,6-8H2,1H3,(H,13,15)
InChIKeySKVZRQFKXKDXCW-UHFFFAOYSA-N
MW332.40 g/mol
LogP0.31
Rot. Bonds4

About N-hydroxy-4-(4-methoxyphenyl)sulfonylthiomorpholine-3-carboxamide

N-hydroxy-4-(4-methoxyphenyl)sulfonylthiomorpholine-3-carboxamide (PubChem CID 10019658) has the molecular formula C12H16N2O5S2 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-hydroxy-4-(4-methoxyphenyl)sulfonylthiomorpholine-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-(4-methoxyphenyl)sulfonylthiomorpholine-3-carboxamide
PubChem CID10019658
Molecular FormulaC12H16N2O5S2
Molecular Weight332.40 g/mol
Exact Mass332.05
IUPAC NameN-hydroxy-4-(4-methoxyphenyl)sulfonylthiomorpholine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCSCC2C(=O)NO)cc1
InChIInChI=1S/C12H16N2O5S2/c1-19-9-2-4-10(5-3-9)21(17,18)14-6-7-20-8-11(14)12(15)13-16/h2-5,11,16H,6-8H2,1H3,(H,13,15)
InChIKeySKVZRQFKXKDXCW-UHFFFAOYSA-N
XLogP0.31
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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-hydroxy-4-(4-methoxyphenyl)sulfonylthiomorpholine-3-carboxamide?
The IUPAC name of N-hydroxy-4-(4-methoxyphenyl)sulfonylthiomorpholine-3-carboxamide (CID 10019658) is N-hydroxy-4-(4-methoxyphenyl)sulfonylthiomorpholine-3-carboxamide.
What is the SMILES notation for N-hydroxy-4-(4-methoxyphenyl)sulfonylthiomorpholine-3-carboxamide?
The canonical SMILES for N-hydroxy-4-(4-methoxyphenyl)sulfonylthiomorpholine-3-carboxamide is COc1ccc(S(=O)(=O)N2CCSCC2C(=O)NO)cc1.
What is the InChIKey of N-hydroxy-4-(4-methoxyphenyl)sulfonylthiomorpholine-3-carboxamide?
The InChIKey is SKVZRQFKXKDXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5S2/c1-19-9-2-4-10(5-3-9)21(17,18)14-6-7-20-8-11(14)12(15)13-16/h2-5,11,16H,6-8H2,1H3,(H,13,15).
What are the key properties of N-hydroxy-4-(4-methoxyphenyl)sulfonylthiomorpholine-3-carboxamide?
N-hydroxy-4-(4-methoxyphenyl)sulfonylthiomorpholine-3-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-(4-methoxyphenyl)sulfonylthiomorpholine-3-carboxamide is sourced from PubChem (CID 10019658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).