N-[(5-methyl-2-methylsulfonylthiophen-3-yl)methylidene]hydroxylamine

C7H9NO3S2 — CID 678412

IUPACN-[(5-methyl-2-methylsulfonylthiophen-3-yl)methylidene]hydroxylamine
SMILESCc1cc(C=NO)c(S(C)(=O)=O)s1
InChIInChI=1S/C7H9NO3S2/c1-5-3-6(4-8-9)7(12-5)13(2,10)11/h3-4,9H,1-2H3
InChIKeyJYHDDCMEASWMCM-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.27
Rot. Bonds2

About N-[(5-methyl-2-methylsulfonylthiophen-3-yl)methylidene]hydroxylamine

N-[(5-methyl-2-methylsulfonylthiophen-3-yl)methylidene]hydroxylamine (PubChem CID 678412) has the molecular formula C7H9NO3S2 and a molecular weight of 219.29 g/mol. Its IUPAC name is N-[(5-methyl-2-methylsulfonylthiophen-3-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(5-methyl-2-methylsulfonylthiophen-3-yl)methylidene]hydroxylamine
PubChem CID678412
Molecular FormulaC7H9NO3S2
Molecular Weight219.29 g/mol
Exact Mass219.00
IUPAC NameN-[(5-methyl-2-methylsulfonylthiophen-3-yl)methylidene]hydroxylamine
SMILESCc1cc(C=NO)c(S(C)(=O)=O)s1
InChIInChI=1S/C7H9NO3S2/c1-5-3-6(4-8-9)7(12-5)13(2,10)11/h3-4,9H,1-2H3
InChIKeyJYHDDCMEASWMCM-UHFFFAOYSA-N
XLogP1.27
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-[(5-methyl-2-methylsulfonylthiophen-3-yl)methylidene]hydroxylamine?
The IUPAC name of N-[(5-methyl-2-methylsulfonylthiophen-3-yl)methylidene]hydroxylamine (CID 678412) is N-[(5-methyl-2-methylsulfonylthiophen-3-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(5-methyl-2-methylsulfonylthiophen-3-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[(5-methyl-2-methylsulfonylthiophen-3-yl)methylidene]hydroxylamine is Cc1cc(C=NO)c(S(C)(=O)=O)s1.
What is the InChIKey of N-[(5-methyl-2-methylsulfonylthiophen-3-yl)methylidene]hydroxylamine?
The InChIKey is JYHDDCMEASWMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3S2/c1-5-3-6(4-8-9)7(12-5)13(2,10)11/h3-4,9H,1-2H3.
What are the key properties of N-[(5-methyl-2-methylsulfonylthiophen-3-yl)methylidene]hydroxylamine?
N-[(5-methyl-2-methylsulfonylthiophen-3-yl)methylidene]hydroxylamine has a molecular weight of 219.29 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-2-methylsulfonylthiophen-3-yl)methylidene]hydroxylamine is sourced from PubChem (CID 678412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).