N-(3,5-dimethylthian-4-ylidene)hydroxylamine

C7H13NOS — CID 3787331

IUPACN-(3,5-dimethylthian-4-ylidene)hydroxylamine
SMILESCC1CSCC(C)C1=NO
InChIInChI=1S/C7H13NOS/c1-5-3-10-4-6(2)7(5)8-9/h5-6,9H,3-4H2,1-2H3
InChIKeyWRBBSPSFISDOEV-UHFFFAOYSA-N
MW159.25 g/mol
LogP1.84
Rot. Bonds

About N-(3,5-dimethylthian-4-ylidene)hydroxylamine

N-(3,5-dimethylthian-4-ylidene)hydroxylamine (PubChem CID 3787331) has the molecular formula C7H13NOS and a molecular weight of 159.25 g/mol. Its IUPAC name is N-(3,5-dimethylthian-4-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(3,5-dimethylthian-4-ylidene)hydroxylamine
PubChem CID3787331
Molecular FormulaC7H13NOS
Molecular Weight159.25 g/mol
Exact Mass159.07
IUPAC NameN-(3,5-dimethylthian-4-ylidene)hydroxylamine
SMILESCC1CSCC(C)C1=NO
InChIInChI=1S/C7H13NOS/c1-5-3-10-4-6(2)7(5)8-9/h5-6,9H,3-4H2,1-2H3
InChIKeyWRBBSPSFISDOEV-UHFFFAOYSA-N
XLogP1.84
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(3,5-dimethylthian-4-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-(3,5-dimethylthian-4-ylidene)hydroxylamine?
The IUPAC name of N-(3,5-dimethylthian-4-ylidene)hydroxylamine (CID 3787331) is N-(3,5-dimethylthian-4-ylidene)hydroxylamine.
What is the SMILES notation for N-(3,5-dimethylthian-4-ylidene)hydroxylamine?
The canonical SMILES for N-(3,5-dimethylthian-4-ylidene)hydroxylamine is CC1CSCC(C)C1=NO.
What is the InChIKey of N-(3,5-dimethylthian-4-ylidene)hydroxylamine?
The InChIKey is WRBBSPSFISDOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NOS/c1-5-3-10-4-6(2)7(5)8-9/h5-6,9H,3-4H2,1-2H3.
What are the key properties of N-(3,5-dimethylthian-4-ylidene)hydroxylamine?
N-(3,5-dimethylthian-4-ylidene)hydroxylamine has a molecular weight of 159.25 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylthian-4-ylidene)hydroxylamine is sourced from PubChem (CID 3787331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).