N-[5-[(5,5-dimethyl-4H-1,2-oxazol-3-yl)sulfonyl]-4-methylpent-3-en-2-ylidene]hydroxylamine

C11H18N2O4S — CID 173040717

IUPACN-[5-[(5,5-dimethyl-4H-1,2-oxazol-3-yl)sulfonyl]-4-methylpent-3-en-2-ylidene]hydroxylamine
SMILESCC(=CC(C)=NO)CS(=O)(=O)C1=NOC(C)(C)C1
InChIInChI=1S/C11H18N2O4S/c1-8(5-9(2)12-14)7-18(15,16)10-6-11(3,4)17-13-10/h5,14H,6-7H2,1-4H3
InChIKeyZXUKUQQJNRXCMY-UHFFFAOYSA-N
MW274.34 g/mol
LogP1.71
Rot. Bonds3

About N-[5-[(5,5-dimethyl-4H-1,2-oxazol-3-yl)sulfonyl]-4-methylpent-3-en-2-ylidene]hydroxylamine

N-[5-[(5,5-dimethyl-4H-1,2-oxazol-3-yl)sulfonyl]-4-methylpent-3-en-2-ylidene]hydroxylamine (PubChem CID 173040717) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is N-[5-[(5,5-dimethyl-4H-1,2-oxazol-3-yl)sulfonyl]-4-methylpent-3-en-2-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[5-[(5,5-dimethyl-4H-1,2-oxazol-3-yl)sulfonyl]-4-methylpent-3-en-2-ylidene]hydroxylamine
PubChem CID173040717
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC NameN-[5-[(5,5-dimethyl-4H-1,2-oxazol-3-yl)sulfonyl]-4-methylpent-3-en-2-ylidene]hydroxylamine
SMILESCC(=CC(C)=NO)CS(=O)(=O)C1=NOC(C)(C)C1
InChIInChI=1S/C11H18N2O4S/c1-8(5-9(2)12-14)7-18(15,16)10-6-11(3,4)17-13-10/h5,14H,6-7H2,1-4H3
InChIKeyZXUKUQQJNRXCMY-UHFFFAOYSA-N
XLogP1.71
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 51.71
H-Bond Donors ≤ 51
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'}

Analyze N-[5-[(5,5-dimethyl-4H-1,2-oxazol-3-yl)sulfonyl]-4-methylpent-3-en-2-ylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[(5,5-dimethyl-4H-1,2-oxazol-3-yl)sulfonyl]-4-methylpent-3-en-2-ylidene]hydroxylamine?
The IUPAC name of N-[5-[(5,5-dimethyl-4H-1,2-oxazol-3-yl)sulfonyl]-4-methylpent-3-en-2-ylidene]hydroxylamine (CID 173040717) is N-[5-[(5,5-dimethyl-4H-1,2-oxazol-3-yl)sulfonyl]-4-methylpent-3-en-2-ylidene]hydroxylamine.
What is the SMILES notation for N-[5-[(5,5-dimethyl-4H-1,2-oxazol-3-yl)sulfonyl]-4-methylpent-3-en-2-ylidene]hydroxylamine?
The canonical SMILES for N-[5-[(5,5-dimethyl-4H-1,2-oxazol-3-yl)sulfonyl]-4-methylpent-3-en-2-ylidene]hydroxylamine is CC(=CC(C)=NO)CS(=O)(=O)C1=NOC(C)(C)C1.
What is the InChIKey of N-[5-[(5,5-dimethyl-4H-1,2-oxazol-3-yl)sulfonyl]-4-methylpent-3-en-2-ylidene]hydroxylamine?
The InChIKey is ZXUKUQQJNRXCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-8(5-9(2)12-14)7-18(15,16)10-6-11(3,4)17-13-10/h5,14H,6-7H2,1-4H3.
What are the key properties of N-[5-[(5,5-dimethyl-4H-1,2-oxazol-3-yl)sulfonyl]-4-methylpent-3-en-2-ylidene]hydroxylamine?
N-[5-[(5,5-dimethyl-4H-1,2-oxazol-3-yl)sulfonyl]-4-methylpent-3-en-2-ylidene]hydroxylamine has a molecular weight of 274.34 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(5,5-dimethyl-4H-1,2-oxazol-3-yl)sulfonyl]-4-methylpent-3-en-2-ylidene]hydroxylamine is sourced from PubChem (CID 173040717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).